N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine

C17H31N — CID 65425333

IUPACN-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1CCC(CCC)CC1
InChIInChI=1S/C17H31N/c1-4-7-9-17(18-14-6-3)16-12-10-15(8-5-2)11-13-16/h15-18H,5-6,8-14H2,1-3H3
InChIKeyNOGHXRXXHBUIAG-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds7

About N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine

N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine (PubChem CID 65425333) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine
PubChem CID65425333
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1CCC(CCC)CC1
InChIInChI=1S/C17H31N/c1-4-7-9-17(18-14-6-3)16-12-10-15(8-5-2)11-13-16/h15-18H,5-6,8-14H2,1-3H3
InChIKeyNOGHXRXXHBUIAG-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
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-(3-ethylcyclopentyl)-N-propylpent-3-yn-1-amine
CID 65411828
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819269
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-(2-methylcyclopropyl)-N-propylpent-3-yn-1-amine
CID 65419772
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
1-cyclobutyl-N-ethylpent-3-yn-1-amine
CID 64986404
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine?
The IUPAC name of N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine (CID 65425333) is N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine.
What is the SMILES notation for N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine?
The canonical SMILES for N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine is CC#CCC(NCCC)C1CCC(CCC)CC1.
What is the InChIKey of N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine?
The InChIKey is NOGHXRXXHBUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-7-9-17(18-14-6-3)16-12-10-15(8-5-2)11-13-16/h15-18H,5-6,8-14H2,1-3H3.
What are the key properties of N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine?
N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine is sourced from PubChem (CID 65425333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).