1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine

C15H27N — CID 106829876

IUPAC1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1(C)CCCCC1
InChIInChI=1S/C15H27N/c1-4-6-10-14(16-13-5-2)15(3)11-8-7-9-12-15/h14,16H,5,7-13H2,1-3H3
InChIKeyMYKYUCNMBKZPBA-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine

1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine (PubChem CID 106829876) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
PubChem CID106829876
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1(C)CCCCC1
InChIInChI=1S/C15H27N/c1-4-6-10-14(16-13-5-2)15(3)11-8-7-9-12-15/h14,16H,5,7-13H2,1-3H3
InChIKeyMYKYUCNMBKZPBA-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.74
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-methylcyclopentyl)-N-propylpent-3-yn-1-amine
CID 115819864
N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine
CID 79069965
4-methyl-1-(1-methylcyclopentyl)-N-propylpentan-1-amine
CID 115834516
1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
1-[1-(2-methylpropyl)cyclopentyl]-N-propylhex-4-yn-1-amine
CID 105037106
1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
CID 105034027
1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
CID 80684750
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine (CID 106829876) is 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine?
The InChIKey is MYKYUCNMBKZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-10-14(16-13-5-2)15(3)11-8-7-9-12-15/h14,16H,5,7-13H2,1-3H3.
What are the key properties of 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine?
1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 106829876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).