5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine

C16H31N — CID 130412597

IUPAC5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine
SMILESCC1CCC(C)(C2CCCC(N)CCC2)CC1
InChIInChI=1S/C16H31N/c1-13-9-11-16(2,12-10-13)14-5-3-7-15(17)8-4-6-14/h13-15H,3-12,17H2,1-2H3
InChIKeyPJMMJAMBXMDEEZ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.50
Rot. Bonds1

About 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine

5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine (PubChem CID 130412597) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine.

Molecular Properties

Compound Name5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine
PubChem CID130412597
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine
SMILESCC1CCC(C)(C2CCCC(N)CCC2)CC1
InChIInChI=1S/C16H31N/c1-13-9-11-16(2,12-10-13)14-5-3-7-15(17)8-4-6-14/h13-15H,3-12,17H2,1-2H3
InChIKeyPJMMJAMBXMDEEZ-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,6-trimethylcyclononan-1-amine
CID 170122621
5-methylcyclododecan-1-amine
CID 138488786
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
5-(1,4-dimethylcyclohexyl)-11-oxabicyclo[7.3.1]tridecane-10,12-dione
CID 130412603
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
1-cyclobutyl-4-methylcyclohexane-1-carbaldehyde
CID 131027775
4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine
CID 167233317
ethane;4-methylcyclohexan-1-amine
CID 142937577
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
CID 112562280

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine?
The IUPAC name of 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine (CID 130412597) is 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine.
What is the SMILES notation for 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine?
The canonical SMILES for 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine is CC1CCC(C)(C2CCCC(N)CCC2)CC1.
What is the InChIKey of 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine?
The InChIKey is PJMMJAMBXMDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13-9-11-16(2,12-10-13)14-5-3-7-15(17)8-4-6-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine?
5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine is sourced from PubChem (CID 130412597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).