1-cyclopentyl-N-methylhept-6-yn-3-amine

C13H23N — CID 115859347

IUPAC1-cyclopentyl-N-methylhept-6-yn-3-amine
SMILESC#CCCC(CCC1CCCC1)NC
InChIInChI=1S/C13H23N/c1-3-4-9-13(14-2)11-10-12-7-5-6-8-12/h1,12-14H,4-11H2,2H3
InChIKeyLGLUWEJDZAJOAC-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds6

About 1-cyclopentyl-N-methylhept-6-yn-3-amine

1-cyclopentyl-N-methylhept-6-yn-3-amine (PubChem CID 115859347) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-methylhept-6-yn-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methylhept-6-yn-3-amine
PubChem CID115859347
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclopentyl-N-methylhept-6-yn-3-amine
SMILESC#CCCC(CCC1CCCC1)NC
InChIInChI=1S/C13H23N/c1-3-4-9-13(14-2)11-10-12-7-5-6-8-12/h1,12-14H,4-11H2,2H3
InChIKeyLGLUWEJDZAJOAC-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-cyclopentyl-N,5-dimethylheptan-3-amine
CID 115846256
N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
CID 63657522
1-cyclopentyl-5-ethyl-N-methylnonan-3-amine
CID 115806235
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
1,1,1-trifluoro-N-methylhept-6-yn-3-amine
CID 63655485
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methylhept-6-yn-3-amine?
The IUPAC name of 1-cyclopentyl-N-methylhept-6-yn-3-amine (CID 115859347) is 1-cyclopentyl-N-methylhept-6-yn-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-methylhept-6-yn-3-amine?
The canonical SMILES for 1-cyclopentyl-N-methylhept-6-yn-3-amine is C#CCCC(CCC1CCCC1)NC.
What is the InChIKey of 1-cyclopentyl-N-methylhept-6-yn-3-amine?
The InChIKey is LGLUWEJDZAJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-4-9-13(14-2)11-10-12-7-5-6-8-12/h1,12-14H,4-11H2,2H3.
What are the key properties of 1-cyclopentyl-N-methylhept-6-yn-3-amine?
1-cyclopentyl-N-methylhept-6-yn-3-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-3-amine is sourced from PubChem (CID 115859347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).