2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine

C17H35N — CID 112570163

IUPAC2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)C1CCCC1
InChIInChI=1S/C17H35N/c1-5-15(6-2)11-17(13-18-12-14(3)4)16-9-7-8-10-16/h14-18H,5-13H2,1-4H3
InChIKeyJIKHDIYCFFQGAB-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds9

About 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine

2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 112570163) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID112570163
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)C1CCCC1
InChIInChI=1S/C17H35N/c1-5-15(6-2)11-17(13-18-12-14(3)4)16-9-7-8-10-16/h14-18H,5-13H2,1-4H3
InChIKeyJIKHDIYCFFQGAB-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-bromo-4-ethylhexan-2-yl)cyclopentane
CID 112570638
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81015222
2-cyclopentyl-4-methyl-N-propan-2-ylhexan-1-amine
CID 112569973
2-cyclopentyl-5-(2-methoxyethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103412733
2-cyclopentyl-4-methyl-N-propylheptan-1-amine
CID 112569912
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
2-cyclopropyl-4-methyl-N-propylpentan-1-amine
CID 104819242
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
2-(cyclohexylmethyl)-N-(2-methylpropyl)pentan-1-amine
CID 55196028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine (CID 112570163) is 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine is CCC(CC)CC(CNCC(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is JIKHDIYCFFQGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-15(6-2)11-17(13-18-12-14(3)4)16-9-7-8-10-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 112570163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).