4-iminopent-2-en-2-amine

C5H10N2 — CID 72728882

IUPAC4-iminopent-2-en-2-amine
SMILES[H]/N=C(\C)C=C(C)N
InChIInChI=1S/C5H10N2/c1-4(6)3-5(2)7/h3,6H,7H2,1-2H3/b5-3?,6-4+
InChIKeyURFRUNCMRYDMIA-QEKUZXLOSA-N
MW98.15 g/mol
LogP0.89
Rot. Bonds1

About 4-iminopent-2-en-2-amine

4-iminopent-2-en-2-amine (PubChem CID 72728882) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4-iminopent-2-en-2-amine.

Molecular Properties

Compound Name4-iminopent-2-en-2-amine
PubChem CID72728882
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4-iminopent-2-en-2-amine
SMILES[H]/N=C(\C)C=C(C)N
InChIInChI=1S/C5H10N2/c1-4(6)3-5(2)7/h3,6H,7H2,1-2H3/b5-3?,6-4+
InChIKeyURFRUNCMRYDMIA-QEKUZXLOSA-N
XLogP0.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.89
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 4-iminopent-2-en-2-amine?
The IUPAC name of 4-iminopent-2-en-2-amine (CID 72728882) is 4-iminopent-2-en-2-amine.
What is the SMILES notation for 4-iminopent-2-en-2-amine?
The canonical SMILES for 4-iminopent-2-en-2-amine is [H]/N=C(\C)C=C(C)N.
What is the InChIKey of 4-iminopent-2-en-2-amine?
The InChIKey is URFRUNCMRYDMIA-QEKUZXLOSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(6)3-5(2)7/h3,6H,7H2,1-2H3/b5-3?,6-4+.
What are the key properties of 4-iminopent-2-en-2-amine?
4-iminopent-2-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopent-2-en-2-amine is sourced from PubChem (CID 72728882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).