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Chemical ID: 5202804
Chemical ID:
5202804
Name [?]:
2-(cyclohexyl-methyl-amino)-3-methyl-pentan-3-ol
SMILES [?]:
CCC(C)(C(C)N(C)C1CCCCC1)O
InChi [?]:
InChI=1/C13H27NO/c1-5-13(3,15)11(2)14(4)12-9-7-6-8-10-12/h11-12,15H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,6,4,8,2,12,11,13,10,14,5,9,3,7,15/E:(7,8)(9,10)/rA:15cCCCCCCNCCCCCCCO/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s10;s11;s12;s9s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H27NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.60766 |
Area: | 390.522 |
Solvation: | -2.1554 |
Coulombic: | -22.7232 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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