N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine

C17H31N — CID 64593666

IUPACN-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NC2CCCC(C3CC3)C2)C1C
InChIInChI=1S/C17H31N/c1-12-5-3-8-17(13(12)2)18-16-7-4-6-15(11-16)14-9-10-14/h12-18H,3-11H2,1-2H3
InChIKeyLUQGZKDWQWHFQO-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine

N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 64593666) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID64593666
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NC2CCCC(C3CC3)C2)C1C
InChIInChI=1S/C17H31N/c1-12-5-3-8-17(13(12)2)18-16-7-4-6-15(11-16)14-9-10-14/h12-18H,3-11H2,1-2H3
InChIKeyLUQGZKDWQWHFQO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
CID 64596012
cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
CID 129374130
3-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 86786408
N-(3-methoxycyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 103082803
N,3-dicyclopropylcyclohexan-1-amine
CID 64594632
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
3-cyclopropyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103783850
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
CID 65082404
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 83906410

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine (CID 64593666) is N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NC2CCCC(C3CC3)C2)C1C.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is LUQGZKDWQWHFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-12-5-3-8-17(13(12)2)18-16-7-4-6-15(11-16)14-9-10-14/h12-18H,3-11H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine?
N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64593666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).