1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine

C15H27N — CID 105034027

IUPAC1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1(C)CCCC1
InChIInChI=1S/C15H27N/c1-4-6-7-10-14(16-13-5-2)15(3)11-8-9-12-15/h1,14,16H,5-13H2,2-3H3
InChIKeyJQYGCQKAWGOSHP-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.74
Rot. Bonds7

About 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine

1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine (PubChem CID 105034027) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
PubChem CID105034027
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1(C)CCCC1
InChIInChI=1S/C15H27N/c1-4-6-7-10-14(16-13-5-2)15(3)11-8-9-12-15/h1,14,16H,5-13H2,2-3H3
InChIKeyJQYGCQKAWGOSHP-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
4-methyl-1-(1-methylcyclopentyl)-N-propylpentan-1-amine
CID 115834516
N,N-diethyl-1-[1-(propylamino)pent-4-ynyl]cyclopentan-1-amine
CID 79070274
1-(1-methylcyclopentyl)-N-propylpent-3-yn-1-amine
CID 115819864
N-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 115833048
1-(1-methylcyclohexyl)-N-propylpent-3-yn-1-amine
CID 106829876
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine
CID 105278459

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine?
The IUPAC name of 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine (CID 105034027) is 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine?
The canonical SMILES for 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine is C#CCCCC(NCCC)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine?
The InChIKey is JQYGCQKAWGOSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-7-10-14(16-13-5-2)15(3)11-8-9-12-15/h1,14,16H,5-13H2,2-3H3.
What are the key properties of 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine?
1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine is sourced from PubChem (CID 105034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).