4-iminopentan-2-amine

C5H12N2 — CID 123638071

IUPAC4-iminopentan-2-amine
SMILES[H]/N=C(\C)CC(C)N
InChIInChI=1S/C5H12N2/c1-4(6)3-5(2)7/h4,7H,3,6H2,1-2H3/b7-5+
InChIKeyUCFIWIDRWUNKEC-FNORWQNLSA-N
MW100.16 g/mol
LogP0.76
Rot. Bonds2

About 4-iminopentan-2-amine

4-iminopentan-2-amine (PubChem CID 123638071) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 4-iminopentan-2-amine.

Molecular Properties

Compound Name4-iminopentan-2-amine
PubChem CID123638071
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name4-iminopentan-2-amine
SMILES[H]/N=C(\C)CC(C)N
InChIInChI=1S/C5H12N2/c1-4(6)3-5(2)7/h4,7H,3,6H2,1-2H3/b7-5+
InChIKeyUCFIWIDRWUNKEC-FNORWQNLSA-N
XLogP0.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.76
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-iminopentan-2-amine?
The IUPAC name of 4-iminopentan-2-amine (CID 123638071) is 4-iminopentan-2-amine.
What is the SMILES notation for 4-iminopentan-2-amine?
The canonical SMILES for 4-iminopentan-2-amine is [H]/N=C(\C)CC(C)N.
What is the InChIKey of 4-iminopentan-2-amine?
The InChIKey is UCFIWIDRWUNKEC-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(6)3-5(2)7/h4,7H,3,6H2,1-2H3/b7-5+.
What are the key properties of 4-iminopentan-2-amine?
4-iminopentan-2-amine has a molecular weight of 100.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopentan-2-amine is sourced from PubChem (CID 123638071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).