1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol

C17H33NO — CID 107008628

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-5-6-7-8-9-12-16(19)17(18(3)4)13-10-11-15(2)14-17/h5,15-16,19H,1,6-14H2,2-4H3
InChIKeyLFIJHTMYLBDWRN-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds8

About 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol

1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol (PubChem CID 107008628) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
PubChem CID107008628
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-5-6-7-8-9-12-16(19)17(18(3)4)13-10-11-15(2)14-17/h5,15-16,19H,1,6-14H2,2-4H3
InChIKeyLFIJHTMYLBDWRN-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol (CID 107008628) is 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol is C=CCCCCCC(O)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol?
The InChIKey is LFIJHTMYLBDWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-6-7-8-9-12-16(19)17(18(3)4)13-10-11-15(2)14-17/h5,15-16,19H,1,6-14H2,2-4H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol?
1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol is sourced from PubChem (CID 107008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).