Chemical ID: 5021178

CCCCN(CCCC)CC(CCCC(C)C)O
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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