1-cyclopentylethane-1,2-diimine

C7H12N2 — CID 154539742

IUPAC1-cyclopentylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C1CCCC1
InChIInChI=1S/C7H12N2/c8-5-7(9)6-3-1-2-4-6/h5-6,8-9H,1-4H2/b8-5+,9-7+
InChIKeyQUFZJQLWBYEOTP-OCIXRKKMSA-N
MW124.19 g/mol
LogP1.85
Rot. Bonds2

About 1-cyclopentylethane-1,2-diimine

1-cyclopentylethane-1,2-diimine (PubChem CID 154539742) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-cyclopentylethane-1,2-diimine.

Molecular Properties

Compound Name1-cyclopentylethane-1,2-diimine
PubChem CID154539742
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-cyclopentylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C1CCCC1
InChIInChI=1S/C7H12N2/c8-5-7(9)6-3-1-2-4-6/h5-6,8-9H,1-4H2/b8-5+,9-7+
InChIKeyQUFZJQLWBYEOTP-OCIXRKKMSA-N
XLogP1.85
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
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-cyclopentylethane-1,2-diimine?
The IUPAC name of 1-cyclopentylethane-1,2-diimine (CID 154539742) is 1-cyclopentylethane-1,2-diimine.
What is the SMILES notation for 1-cyclopentylethane-1,2-diimine?
The canonical SMILES for 1-cyclopentylethane-1,2-diimine is [H]/N=C(\C=N\[H])C1CCCC1.
What is the InChIKey of 1-cyclopentylethane-1,2-diimine?
The InChIKey is QUFZJQLWBYEOTP-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H12N2/c8-5-7(9)6-3-1-2-4-6/h5-6,8-9H,1-4H2/b8-5+,9-7+.
What are the key properties of 1-cyclopentylethane-1,2-diimine?
1-cyclopentylethane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethane-1,2-diimine is sourced from PubChem (CID 154539742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).