1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine

C12H19N — CID 71391991

IUPAC1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine
SMILESCC1=C(/N=C/C2CCCC2)CCC1
InChIInChI=1S/C12H19N/c1-10-5-4-8-12(10)13-9-11-6-2-3-7-11/h9,11H,2-8H2,1H3/b13-9+
InChIKeyZLELGBUYLBCEDZ-UKTHLTGXSA-N
MW177.29 g/mol
LogP3.71
Rot. Bonds2

About 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine

1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine (PubChem CID 71391991) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine
PubChem CID71391991
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine
SMILESCC1=C(/N=C/C2CCCC2)CCC1
InChIInChI=1S/C12H19N/c1-10-5-4-8-12(10)13-9-11-6-2-3-7-11/h9,11H,2-8H2,1H3/b13-9+
InChIKeyZLELGBUYLBCEDZ-UKTHLTGXSA-N
XLogP3.71
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 ≤ 53.71
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 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine?
The IUPAC name of 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine (CID 71391991) is 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine.
What is the SMILES notation for 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine?
The canonical SMILES for 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine is CC1=C(/N=C/C2CCCC2)CCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine?
The InChIKey is ZLELGBUYLBCEDZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H19N/c1-10-5-4-8-12(10)13-9-11-6-2-3-7-11/h9,11H,2-8H2,1H3/b13-9+.
What are the key properties of 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine?
1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methylcyclopenten-1-yl)methanimine is sourced from PubChem (CID 71391991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).