Chemical ID: 5202804

CCC(C)(C(C)N(C)C1CCCCC1)O
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

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