1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine

C13H23N — CID 107190869

IUPAC1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)C1CCCC1(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-9-12(14)11-8-7-10-13(11,2)3/h11-12H,6-10,14H2,1-3H3
InChIKeyOODKMGFVKPJMMO-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine

1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine (PubChem CID 107190869) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
PubChem CID107190869
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)C1CCCC1(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-9-12(14)11-8-7-10-13(11,2)3/h11-12H,6-10,14H2,1-3H3
InChIKeyOODKMGFVKPJMMO-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine (CID 107190869) is 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine is CC#CCCC(N)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine?
The InChIKey is OODKMGFVKPJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-5-6-9-12(14)11-8-7-10-13(11,2)3/h11-12H,6-10,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine?
1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine is sourced from PubChem (CID 107190869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).