3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine

C16H31N — CID 114193227

IUPAC3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
SMILESCC1(C)CCCCC1C(N)CCC1CCCC1
InChIInChI=1S/C16H31N/c1-16(2)12-6-5-9-14(16)15(17)11-10-13-7-3-4-8-13/h13-15H,3-12,17H2,1-2H3
InChIKeyLJWVBVCNYVBHJM-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.50
Rot. Bonds4

About 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine

3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine (PubChem CID 114193227) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
PubChem CID114193227
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
SMILESCC1(C)CCCCC1C(N)CCC1CCCC1
InChIInChI=1S/C16H31N/c1-16(2)12-6-5-9-14(16)15(17)11-10-13-7-3-4-8-13/h13-15H,3-12,17H2,1-2H3
InChIKeyLJWVBVCNYVBHJM-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-cyclopropyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
CID 107189392
1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
CID 107188380
1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
CID 107190869
1-(2,2-dimethylcyclohexyl)-3-methylidenepentan-1-amine
CID 107189793
[2-cyclobutyl-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107194022
3-cyclohexyl-1-cyclopropylpropan-1-amine
CID 63355132
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144
1-(2,2-dimethylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 107188192
1-(2,2-dimethylcyclohexyl)decylhydrazine
CID 107193551
3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine
CID 114192224
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine (CID 114193227) is 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine is CC1(C)CCCCC1C(N)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine?
The InChIKey is LJWVBVCNYVBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-16(2)12-6-5-9-14(16)15(17)11-10-13-7-3-4-8-13/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine?
3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 114193227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).