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

C17H31NO — CID 57116955

IUPAC1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCCC(C)=CC(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
InChIKeyOJXBVACQGFDNSD-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds7

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

1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol (PubChem CID 57116955) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
PubChem CID57116955
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCCC(C)=CC(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
InChIKeyOJXBVACQGFDNSD-UHFFFAOYSA-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'}

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Related Compounds

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 70435115
9-(Cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 70435118
(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 88662138
(2Z)-2-(2-methylpiperidin-4-ylidene)ethanol
CID 118372437
4-Methyl-2-(methylamino)hex-4-en-3-ol
CID 123366894
2-(2-Methylpiperidin-4-ylidene)ethanol
CID 123883502
(6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 140347081
(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol
CID 155088575
(5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol
CID 155088653

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The IUPAC name of 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol (CID 57116955) is 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The canonical SMILES for 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol is CC(C)=CCCC(C)=CC(O)CNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
The InChIKey is OJXBVACQGFDNSD-UHFFFAOYSA-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.
What are the key properties of 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol?
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 1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 57116955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).