2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine

C17H33N — CID 63401306

IUPAC2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CC2CCCC2)C1
InChIInChI=1S/C17H33N/c1-3-7-14-10-11-17(18-4-2)16(12-14)13-15-8-5-6-9-15/h14-18H,3-13H2,1-2H3
InChIKeyJHPINGOURFQODG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds6

About 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine

2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 63401306) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID63401306
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CC2CCCC2)C1
InChIInChI=1S/C17H33N/c1-3-7-14-10-11-17(18-4-2)16(12-14)13-15-8-5-6-9-15/h14-18H,3-13H2,1-2H3
InChIKeyJHPINGOURFQODG-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
CID 55094762
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379507
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine (CID 63401306) is 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(CC2CCCC2)C1.
What is the InChIKey of 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is JHPINGOURFQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-7-14-10-11-17(18-4-2)16(12-14)13-15-8-5-6-9-15/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine?
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63401306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).