2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine

C10H18N2 — CID 91468924

IUPAC2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESC/N=C(\C)C1CCCC1=CCN
InChIInChI=1S/C10H18N2/c1-8(12-2)10-5-3-4-9(10)6-7-11/h6,10H,3-5,7,11H2,1-2H3/b9-6?,12-8+
InChIKeyPQCUSURIYMULDQ-XDXHVUSISA-N
MW166.27 g/mol
LogP1.76
Rot. Bonds2

About 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine

2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine (PubChem CID 91468924) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine.

Molecular Properties

Compound Name2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
PubChem CID91468924
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESC/N=C(\C)C1CCCC1=CCN
InChIInChI=1S/C10H18N2/c1-8(12-2)10-5-3-4-9(10)6-7-11/h6,10H,3-5,7,11H2,1-2H3/b9-6?,12-8+
InChIKeyPQCUSURIYMULDQ-XDXHVUSISA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The IUPAC name of 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine (CID 91468924) is 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine.
What is the SMILES notation for 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The canonical SMILES for 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine is C/N=C(\C)C1CCCC1=CCN.
What is the InChIKey of 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The InChIKey is PQCUSURIYMULDQ-XDXHVUSISA-N. The full InChI is InChI=1S/C10H18N2/c1-8(12-2)10-5-3-4-9(10)6-7-11/h6,10H,3-5,7,11H2,1-2H3/b9-6?,12-8+.
What are the key properties of 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine has a molecular weight of 166.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine is sourced from PubChem (CID 91468924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).