3-iminobutan-2-amine

C4H10N2 — CID 20687863

IUPAC3-iminobutan-2-amine
SMILES[H]/N=C(\C)C(C)N
InChIInChI=1S/C4H10N2/c1-3(5)4(2)6/h3,6H,5H2,1-2H3/b6-4+
InChIKeyZHXXUZYXIFJNLY-GQCTYLIASA-N
MW86.14 g/mol
LogP0.37
Rot. Bonds1

About 3-iminobutan-2-amine

3-iminobutan-2-amine (PubChem CID 20687863) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is 3-iminobutan-2-amine.

Molecular Properties

Compound Name3-iminobutan-2-amine
PubChem CID20687863
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Name3-iminobutan-2-amine
SMILES[H]/N=C(\C)C(C)N
InChIInChI=1S/C4H10N2/c1-3(5)4(2)6/h3,6H,5H2,1-2H3/b6-4+
InChIKeyZHXXUZYXIFJNLY-GQCTYLIASA-N
XLogP0.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.37
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-iminobutan-2-amine?
The IUPAC name of 3-iminobutan-2-amine (CID 20687863) is 3-iminobutan-2-amine.
What is the SMILES notation for 3-iminobutan-2-amine?
The canonical SMILES for 3-iminobutan-2-amine is [H]/N=C(\C)C(C)N.
What is the InChIKey of 3-iminobutan-2-amine?
The InChIKey is ZHXXUZYXIFJNLY-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10N2/c1-3(5)4(2)6/h3,6H,5H2,1-2H3/b6-4+.
What are the key properties of 3-iminobutan-2-amine?
3-iminobutan-2-amine has a molecular weight of 86.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminobutan-2-amine is sourced from PubChem (CID 20687863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).