3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine

C17H31N — CID 64623583

IUPAC3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H31N/c1-2-13-6-10-16(11-7-13)18-17-5-3-4-15(12-17)14-8-9-14/h13-18H,2-12H2,1H3
InChIKeyPPFQONCQVIXCHO-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.51
Rot. Bonds4

About 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine

3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine (PubChem CID 64623583) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
PubChem CID64623583
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H31N/c1-2-13-6-10-16(11-7-13)18-17-5-3-4-15(12-17)14-8-9-14/h13-18H,2-12H2,1H3
InChIKeyPPFQONCQVIXCHO-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dicyclopropylcyclohexan-1-amine
CID 64594632
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 83906410
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
3-cyclopropyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103783850
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
CID 114122927
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
CID 23041228
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine (CID 64623583) is 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine is CCC1CCC(NC2CCCC(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The InChIKey is PPFQONCQVIXCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-13-6-10-16(11-7-13)18-17-5-3-4-15(12-17)14-8-9-14/h13-18H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 64623583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).