(2E)-2-(2-methylcyclopentylidene)ethanamine

C8H15N — CID 65050335

IUPAC(2E)-2-(2-methylcyclopentylidene)ethanamine
SMILESCC1CCC/C1=C\CN
InChIInChI=1S/C8H15N/c1-7-3-2-4-8(7)5-6-9/h5,7H,2-4,6,9H2,1H3/b8-5+
InChIKeyXRWBCTKMRORIFW-VMPITWQZSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds1

About (2E)-2-(2-methylcyclopentylidene)ethanamine

(2E)-2-(2-methylcyclopentylidene)ethanamine (PubChem CID 65050335) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E)-2-(2-methylcyclopentylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(2-methylcyclopentylidene)ethanamine
PubChem CID65050335
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E)-2-(2-methylcyclopentylidene)ethanamine
SMILESCC1CCC/C1=C\CN
InChIInChI=1S/C8H15N/c1-7-3-2-4-8(7)5-6-9/h5,7H,2-4,6,9H2,1H3/b8-5+
InChIKeyXRWBCTKMRORIFW-VMPITWQZSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
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 (2E)-2-(2-methylcyclopentylidene)ethanamine?
The IUPAC name of (2E)-2-(2-methylcyclopentylidene)ethanamine (CID 65050335) is (2E)-2-(2-methylcyclopentylidene)ethanamine.
What is the SMILES notation for (2E)-2-(2-methylcyclopentylidene)ethanamine?
The canonical SMILES for (2E)-2-(2-methylcyclopentylidene)ethanamine is CC1CCC/C1=C\CN.
What is the InChIKey of (2E)-2-(2-methylcyclopentylidene)ethanamine?
The InChIKey is XRWBCTKMRORIFW-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15N/c1-7-3-2-4-8(7)5-6-9/h5,7H,2-4,6,9H2,1H3/b8-5+.
What are the key properties of (2E)-2-(2-methylcyclopentylidene)ethanamine?
(2E)-2-(2-methylcyclopentylidene)ethanamine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methylcyclopentylidene)ethanamine is sourced from PubChem (CID 65050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).