1-(2-methylcyclopenten-1-yl)heptan-3-amine

C13H25N — CID 11030710

IUPAC1-(2-methylcyclopenten-1-yl)heptan-3-amine
SMILESCCCCC(N)CCC1=C(C)CCC1
InChIInChI=1S/C13H25N/c1-3-4-8-13(14)10-9-12-7-5-6-11(12)2/h13H,3-10,14H2,1-2H3
InChIKeyLUJCKSCCOMIIKA-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.78
Rot. Bonds6

About 1-(2-methylcyclopenten-1-yl)heptan-3-amine

1-(2-methylcyclopenten-1-yl)heptan-3-amine (PubChem CID 11030710) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2-methylcyclopenten-1-yl)heptan-3-amine.

Molecular Properties

Compound Name1-(2-methylcyclopenten-1-yl)heptan-3-amine
PubChem CID11030710
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2-methylcyclopenten-1-yl)heptan-3-amine
SMILESCCCCC(N)CCC1=C(C)CCC1
InChIInChI=1S/C13H25N/c1-3-4-8-13(14)10-9-12-7-5-6-11(12)2/h13H,3-10,14H2,1-2H3
InChIKeyLUJCKSCCOMIIKA-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopenten-1-yl)heptan-3-amine?
The IUPAC name of 1-(2-methylcyclopenten-1-yl)heptan-3-amine (CID 11030710) is 1-(2-methylcyclopenten-1-yl)heptan-3-amine.
What is the SMILES notation for 1-(2-methylcyclopenten-1-yl)heptan-3-amine?
The canonical SMILES for 1-(2-methylcyclopenten-1-yl)heptan-3-amine is CCCCC(N)CCC1=C(C)CCC1.
What is the InChIKey of 1-(2-methylcyclopenten-1-yl)heptan-3-amine?
The InChIKey is LUJCKSCCOMIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-8-13(14)10-9-12-7-5-6-11(12)2/h13H,3-10,14H2,1-2H3.
What are the key properties of 1-(2-methylcyclopenten-1-yl)heptan-3-amine?
1-(2-methylcyclopenten-1-yl)heptan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopenten-1-yl)heptan-3-amine is sourced from PubChem (CID 11030710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).