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Chemical ID: 7523463
Chemical ID:
7523463
Name [?]:
1-cyclopentylamino-3-(2-isopropyl-5-methyl-cyclohexoxy)-propan-2-ol
SMILES [?]:
CC1CCC(C(C1)OCC(CNC2CCCC2)O)C(C)C
InChi [?]:
InChI=1/C18H35NO2/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15/h13-20H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,15,16,14,17,3,4,7,11,9,19,2,13,10,5,6,12,18,8/E:(1,2)(4,5)(6,7)/rA:21cCCCCCCCOCCCNCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s13s16;s10;s5;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H35NO2 |
All Atoms: | 56 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.38177 |
Area: | 536.959 |
Solvation: | -4.0422 |
Coulombic: | -34.6601 |
Bond Count [?]
All: | 22 |
Single: | 22 |
Double: | 0 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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