N-(3,4-dimethylcyclohexyl)cyclooctanamine

C16H31N — CID 64733155

IUPACN-(3,4-dimethylcyclohexyl)cyclooctanamine
SMILESCC1CCC(NC2CCCCCCC2)CC1C
InChIInChI=1S/C16H31N/c1-13-10-11-16(12-14(13)2)17-15-8-6-4-3-5-7-9-15/h13-17H,3-12H2,1-2H3
InChIKeyWKVSTVJJXLAJQH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)cyclooctanamine

N-(3,4-dimethylcyclohexyl)cyclooctanamine (PubChem CID 64733155) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)cyclooctanamine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)cyclooctanamine
PubChem CID64733155
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(3,4-dimethylcyclohexyl)cyclooctanamine
SMILESCC1CCC(NC2CCCCCCC2)CC1C
InChIInChI=1S/C16H31N/c1-13-10-11-16(12-14(13)2)17-15-8-6-4-3-5-7-9-15/h13-17H,3-12H2,1-2H3
InChIKeyWKVSTVJJXLAJQH-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64745242
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
N-cyclopropylcyclododecanamine
CID 16776852
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
CID 112753327
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
CID 130815534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)cyclooctanamine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)cyclooctanamine (CID 64733155) is N-(3,4-dimethylcyclohexyl)cyclooctanamine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)cyclooctanamine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)cyclooctanamine is CC1CCC(NC2CCCCCCC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)cyclooctanamine?
The InChIKey is WKVSTVJJXLAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13-10-11-16(12-14(13)2)17-15-8-6-4-3-5-7-9-15/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)cyclooctanamine?
N-(3,4-dimethylcyclohexyl)cyclooctanamine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)cyclooctanamine is sourced from PubChem (CID 64733155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).