(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine

C12H19N — CID 88992463

IUPAC(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine
SMILESCC/N=C1\CCC\C1=C(\C)C1CC1
InChIInChI=1S/C12H19N/c1-3-13-12-6-4-5-11(12)9(2)10-7-8-10/h10H,3-8H2,1-2H3/b11-9+,13-12+
InChIKeyHMAVEGTUIIFVAH-GNDASISDSA-N
MW177.29 g/mol
LogP3.36
Rot. Bonds2

About (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine

(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine (PubChem CID 88992463) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine
PubChem CID88992463
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine
SMILESCC/N=C1\CCC\C1=C(\C)C1CC1
InChIInChI=1S/C12H19N/c1-3-13-12-6-4-5-11(12)9(2)10-7-8-10/h10H,3-8H2,1-2H3/b11-9+,13-12+
InChIKeyHMAVEGTUIIFVAH-GNDASISDSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine?
The IUPAC name of (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine (CID 88992463) is (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine.
What is the SMILES notation for (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine?
The canonical SMILES for (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine is CC/N=C1\CCC\C1=C(\C)C1CC1.
What is the InChIKey of (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine?
The InChIKey is HMAVEGTUIIFVAH-GNDASISDSA-N. The full InChI is InChI=1S/C12H19N/c1-3-13-12-6-4-5-11(12)9(2)10-7-8-10/h10H,3-8H2,1-2H3/b11-9+,13-12+.
What are the key properties of (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine?
(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine is sourced from PubChem (CID 88992463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).