3-iminopentan-1-amine

C5H12N2 — CID 57102280

IUPAC3-iminopentan-1-amine
SMILES[H]/N=C(\CC)CCN
InChIInChI=1S/C5H12N2/c1-2-5(7)3-4-6/h7H,2-4,6H2,1H3/b7-5+
InChIKeyAWSLTFGTGOQNEO-FNORWQNLSA-N
MW100.16 g/mol
LogP0.76
Rot. Bonds3

About 3-iminopentan-1-amine

3-iminopentan-1-amine (PubChem CID 57102280) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-iminopentan-1-amine.

Molecular Properties

Compound Name3-iminopentan-1-amine
PubChem CID57102280
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-iminopentan-1-amine
SMILES[H]/N=C(\CC)CCN
InChIInChI=1S/C5H12N2/c1-2-5(7)3-4-6/h7H,2-4,6H2,1H3/b7-5+
InChIKeyAWSLTFGTGOQNEO-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 3-iminopentan-1-amine?
The IUPAC name of 3-iminopentan-1-amine (CID 57102280) is 3-iminopentan-1-amine.
What is the SMILES notation for 3-iminopentan-1-amine?
The canonical SMILES for 3-iminopentan-1-amine is [H]/N=C(\CC)CCN.
What is the InChIKey of 3-iminopentan-1-amine?
The InChIKey is AWSLTFGTGOQNEO-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-5(7)3-4-6/h7H,2-4,6H2,1H3/b7-5+.
What are the key properties of 3-iminopentan-1-amine?
3-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 3-iminopentan-1-amine is sourced from PubChem (CID 57102280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).