1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine

C18H33N — CID 105037106

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N/c1-5-7-8-11-17(19-14-6-2)18(15-16(3)4)12-9-10-13-18/h16-17,19H,6,8-15H2,1-4H3
InChIKeyATXPMVSLUNNPIH-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds8

About 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine

1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine (PubChem CID 105037106) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine
PubChem CID105037106
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N/c1-5-7-8-11-17(19-14-6-2)18(15-16(3)4)12-9-10-13-18/h16-17,19H,6,8-15H2,1-4H3
InChIKeyATXPMVSLUNNPIH-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine
CID 115833191
1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
1-(1-ethylcyclopentyl)-N-methylhex-4-yn-1-amine
CID 105037420
1-(1-methylcyclopentyl)-N-propylpent-3-yn-1-amine
CID 115819864
N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine
CID 104806557
1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
CID 106829876
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylhex-4-yn-1-amine
CID 116769667
4-methyl-1-(1-methylcyclopentyl)-N-propylpentan-1-amine
CID 115834516
N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine
CID 79069965
1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine (CID 105037106) is 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)C1(CC(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine?
The InChIKey is ATXPMVSLUNNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-5-7-8-11-17(19-14-6-2)18(15-16(3)4)12-9-10-13-18/h16-17,19H,6,8-15H2,1-4H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine?
1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 8 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-propylhex-4-yn-1-amine is sourced from PubChem (CID 105037106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).