2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine

C11H20N2 — CID 91180465

IUPAC2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESCC/N=C(\C)C1CCCC1=CCN
InChIInChI=1S/C11H20N2/c1-3-13-9(2)11-6-4-5-10(11)7-8-12/h7,11H,3-6,8,12H2,1-2H3/b10-7?,13-9+
InChIKeyPGYMNTUZVBXDJP-TXKOFFJSSA-N
MW180.29 g/mol
LogP2.15
Rot. Bonds3

About 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine

2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine (PubChem CID 91180465) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine.

Molecular Properties

Compound Name2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
PubChem CID91180465
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
SMILESCC/N=C(\C)C1CCCC1=CCN
InChIInChI=1S/C11H20N2/c1-3-13-9(2)11-6-4-5-10(11)7-8-12/h7,11H,3-6,8,12H2,1-2H3/b10-7?,13-9+
InChIKeyPGYMNTUZVBXDJP-TXKOFFJSSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine?
The IUPAC name of 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine (CID 91180465) is 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine.
What is the SMILES notation for 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine?
The canonical SMILES for 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine is CC/N=C(\C)C1CCCC1=CCN.
What is the InChIKey of 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine?
The InChIKey is PGYMNTUZVBXDJP-TXKOFFJSSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-13-9(2)11-6-4-5-10(11)7-8-12/h7,11H,3-6,8,12H2,1-2H3/b10-7?,13-9+.
What are the key properties of 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine?
2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine is sourced from PubChem (CID 91180465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).