4-iminopentan-1-amine

C5H12N2 — CID 54148355

IUPAC4-iminopentan-1-amine
SMILES[H]/N=C(\C)CCCN
InChIInChI=1S/C5H12N2/c1-5(7)3-2-4-6/h7H,2-4,6H2,1H3/b7-5+
InChIKeyOFYZFXQPPWBXGG-FNORWQNLSA-N
MW100.16 g/mol
LogP0.76
Rot. Bonds3

About 4-iminopentan-1-amine

4-iminopentan-1-amine (PubChem CID 54148355) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 4-iminopentan-1-amine.

Molecular Properties

Compound Name4-iminopentan-1-amine
PubChem CID54148355
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name4-iminopentan-1-amine
SMILES[H]/N=C(\C)CCCN
InChIInChI=1S/C5H12N2/c1-5(7)3-2-4-6/h7H,2-4,6H2,1H3/b7-5+
InChIKeyOFYZFXQPPWBXGG-FNORWQNLSA-N
XLogP0.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-1-amine?
The IUPAC name of 4-iminopentan-1-amine (CID 54148355) is 4-iminopentan-1-amine.
What is the SMILES notation for 4-iminopentan-1-amine?
The canonical SMILES for 4-iminopentan-1-amine is [H]/N=C(\C)CCCN.
What is the InChIKey of 4-iminopentan-1-amine?
The InChIKey is OFYZFXQPPWBXGG-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(7)3-2-4-6/h7H,2-4,6H2,1H3/b7-5+.
What are the key properties of 4-iminopentan-1-amine?
4-iminopentan-1-amine has a molecular weight of 100.16 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopentan-1-amine is sourced from PubChem (CID 54148355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).