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

C10H18N2 — CID 87603732

IUPAC(2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESC/N=C(\C)C1CCC/C1=C\CN
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-JCJUGQDJSA-N
MW166.27 g/mol
LogP1.76
Rot. Bonds2

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

(2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine (PubChem CID 87603732) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine.

Molecular Properties

Compound Name(2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
PubChem CID87603732
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESC/N=C(\C)C1CCC/C1=C\CN
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-JCJUGQDJSA-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 (2E)-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

Related Compounds

2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91180465
(4,8,10-Trimethylundec-8-en-3-ylideneamino)methanamine
CID 91397502
2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91468924
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
4-[2-(3,4-Dihydropyrrol-1-ium-3-yl)ethyl]hept-3-en-2-amine
CID 123729644
(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine
CID 138565184
(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine
CID 146254087
4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
CID 167207524
5-methyl-4-octan-4-yl-2H-pyrrole
CID 169630402
[1-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]ethylideneamino]methanamine
CID 174001512
(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
CID 174354908

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The IUPAC name of (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine (CID 87603732) is (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine.
What is the SMILES notation for (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The canonical SMILES for (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine is C/N=C(\C)C1CCC/C1=C\CN.
What is the InChIKey of (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
The InChIKey is PQCUSURIYMULDQ-JCJUGQDJSA-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 (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine?
(2E)-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 (2E)-2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine is sourced from PubChem (CID 87603732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).