1-cyclopentyl-N-methylhept-6-yn-2-amine

C13H23N — CID 105034139

IUPAC1-cyclopentyl-N-methylhept-6-yn-2-amine
SMILESC#CCCCC(CC1CCCC1)NC
InChIInChI=1S/C13H23N/c1-3-4-5-10-13(14-2)11-12-8-6-7-9-12/h1,12-14H,4-11H2,2H3
InChIKeyICUMWUJUCIHKIX-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds6

About 1-cyclopentyl-N-methylhept-6-yn-2-amine

1-cyclopentyl-N-methylhept-6-yn-2-amine (PubChem CID 105034139) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-methylhept-6-yn-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methylhept-6-yn-2-amine
PubChem CID105034139
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclopentyl-N-methylhept-6-yn-2-amine
SMILESC#CCCCC(CC1CCCC1)NC
InChIInChI=1S/C13H23N/c1-3-4-5-10-13(14-2)11-12-8-6-7-9-12/h1,12-14H,4-11H2,2H3
InChIKeyICUMWUJUCIHKIX-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
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-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347
1-cycloheptyl-N,6,6-trimethylheptan-2-amine
CID 114211051
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cycloheptylhept-6-yn-2-amine
CID 105034110
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
1-cyclobutyl-5-ethoxy-N-methylpentan-2-amine
CID 105151604
N-methyl-1-propan-2-yloxyhept-6-yn-2-amine
CID 105179473
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methylhept-6-yn-2-amine?
The IUPAC name of 1-cyclopentyl-N-methylhept-6-yn-2-amine (CID 105034139) is 1-cyclopentyl-N-methylhept-6-yn-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-methylhept-6-yn-2-amine?
The canonical SMILES for 1-cyclopentyl-N-methylhept-6-yn-2-amine is C#CCCCC(CC1CCCC1)NC.
What is the InChIKey of 1-cyclopentyl-N-methylhept-6-yn-2-amine?
The InChIKey is ICUMWUJUCIHKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-4-5-10-13(14-2)11-12-8-6-7-9-12/h1,12-14H,4-11H2,2H3.
What are the key properties of 1-cyclopentyl-N-methylhept-6-yn-2-amine?
1-cyclopentyl-N-methylhept-6-yn-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methylhept-6-yn-2-amine is sourced from PubChem (CID 105034139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).