(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol

C17H31NO — CID 70435115

IUPAC(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CNC1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)8-7-9-15(3)12-17(19)13-18-16-10-5-4-6-11-16/h8,12,16-19H,4-7,9-11,13H2,1-3H3/b15-12+
InChIKeyOJXBVACQGFDNSD-NTCAYCPXSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds7

About (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol

(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol (PubChem CID 70435115) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
PubChem CID70435115
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CNC1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)8-7-9-15(3)12-17(19)13-18-16-10-5-4-6-11-16/h8,12,16-19H,4-7,9-11,13H2,1-3H3/b15-12+
InChIKeyOJXBVACQGFDNSD-NTCAYCPXSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
CID 124676145
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
CID 89476445
N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine
CID 10442091
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
3-(cyclododecylamino)propane-1,2-diol
CID 66175077

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The IUPAC name of (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol (CID 70435115) is (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The canonical SMILES for (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol is CC(C)=CCC/C(C)=C/C(O)CNC1CCCCC1.
What is the InChIKey of (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The InChIKey is OJXBVACQGFDNSD-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)8-7-9-15(3)12-17(19)13-18-16-10-5-4-6-11-16/h8,12,16-19H,4-7,9-11,13H2,1-3H3/b15-12+.
What are the key properties of (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol has a molecular weight of 265.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 70435115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).