1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine

C19H39N — CID 115833191

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H39N/c1-5-7-8-9-12-18(20-15-6-2)19(16-17(3)4)13-10-11-14-19/h17-18,20H,5-16H2,1-4H3
InChIKeyKYBAKXJRJQSDJI-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.93
Rot. Bonds11

About 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine

1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine (PubChem CID 115833191) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine
PubChem CID115833191
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H39N/c1-5-7-8-9-12-18(20-15-6-2)19(16-17(3)4)13-10-11-14-19/h17-18,20H,5-16H2,1-4H3
InChIKeyKYBAKXJRJQSDJI-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine
CID 105037106
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
4-methyl-1-(1-methylcyclopentyl)-N-propylpentan-1-amine
CID 115834516
1-[1-(2-methylpropyl)cyclopentyl]hexan-1-amine
CID 115837142
N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
CID 115865177
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
N-propylnonan-2-amine
CID 43129664
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
CID 105034027

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine (CID 115833191) is 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine is CCCCCCC(NCCC)C1(CC(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine?
The InChIKey is KYBAKXJRJQSDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-7-8-9-12-18(20-15-6-2)19(16-17(3)4)13-10-11-14-19/h17-18,20H,5-16H2,1-4H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine?
1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine is sourced from PubChem (CID 115833191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).