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Chemical ID: 5021178
Chemical ID:
5021178
Name [?]:
1-dibutylamino-6-methyl-heptan-2-ol
SMILES [?]:
CCCCN(CCCC)CC(CCCC(C)C)O
InChi [?]:
InChI=1/C16H35NO/c1-5-7-12-17(13-8-6-2)14-16(18)11-9-10-15(3)4/h15-16,18H,5-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,16,17,2,8,3,7,13,14,12,4,6,10,15,11,5,18/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:18cCCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;s15;s15;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H35NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4702 |
Area: | 536.664 |
Solvation: | -1.94639 |
Coulombic: | -24.7957 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 257.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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