3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine

C11H18N2 — CID 148725137

IUPAC3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine
SMILESC=C/C(=N\C1CCCC1)C(C)=CN
InChIInChI=1S/C11H18N2/c1-3-11(9(2)8-12)13-10-6-4-5-7-10/h3,8,10H,1,4-7,12H2,2H3/b9-8?,13-11+
InChIKeyCBWVIGBLUOAPSR-XWRNVOKYSA-N
MW178.28 g/mol
LogP2.42
Rot. Bonds3

About 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine

3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine (PubChem CID 148725137) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine
PubChem CID148725137
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine
SMILESC=C/C(=N\C1CCCC1)C(C)=CN
InChIInChI=1S/C11H18N2/c1-3-11(9(2)8-12)13-10-6-4-5-7-10/h3,8,10H,1,4-7,12H2,2H3/b9-8?,13-11+
InChIKeyCBWVIGBLUOAPSR-XWRNVOKYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine?
The IUPAC name of 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine (CID 148725137) is 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine.
What is the SMILES notation for 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine?
The canonical SMILES for 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine is C=C/C(=N\C1CCCC1)C(C)=CN.
What is the InChIKey of 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine?
The InChIKey is CBWVIGBLUOAPSR-XWRNVOKYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-11(9(2)8-12)13-10-6-4-5-7-10/h3,8,10H,1,4-7,12H2,2H3/b9-8?,13-11+.
What are the key properties of 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine?
3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylimino-2-methylpenta-1,4-dien-1-amine is sourced from PubChem (CID 148725137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).