1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine

C13H22N2 — CID 123377636

IUPAC1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
SMILESCCC1=C(/N=C/CC/C(C)=N/C)CCC1
InChIInChI=1S/C13H22N2/c1-4-12-8-5-9-13(12)15-10-6-7-11(2)14-3/h10H,4-9H2,1-3H3/b14-11+,15-10+
InChIKeyFYXRTRYVXIFKKF-QYFSLLALSA-N
MW206.33 g/mol
LogP3.78
Rot. Bonds5

About 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine

1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine (PubChem CID 123377636) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine.

Molecular Properties

Compound Name1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
PubChem CID123377636
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
SMILESCCC1=C(/N=C/CC/C(C)=N/C)CCC1
InChIInChI=1S/C13H22N2/c1-4-12-8-5-9-13(12)15-10-6-7-11(2)14-3/h10H,4-9H2,1-3H3/b14-11+,15-10+
InChIKeyFYXRTRYVXIFKKF-QYFSLLALSA-N
XLogP3.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine?
The IUPAC name of 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine (CID 123377636) is 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine.
What is the SMILES notation for 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine?
The canonical SMILES for 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine is CCC1=C(/N=C/CC/C(C)=N/C)CCC1.
What is the InChIKey of 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine?
The InChIKey is FYXRTRYVXIFKKF-QYFSLLALSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12-8-5-9-13(12)15-10-6-7-11(2)14-3/h10H,4-9H2,1-3H3/b14-11+,15-10+.
What are the key properties of 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine?
1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine has a molecular weight of 206.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine is sourced from PubChem (CID 123377636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).