3-methylbutan-2-imine

C5H11N — CID 20811318

IUPAC3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)C
InChIInChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/b6-5+
InChIKeyGCBDJHQUBANAEH-AATRIKPKSA-N
MW85.15 g/mol
LogP1.68
Rot. Bonds1

About 3-methylbutan-2-imine

3-methylbutan-2-imine (PubChem CID 20811318) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 3-methylbutan-2-imine.

Molecular Properties

Compound Name3-methylbutan-2-imine
PubChem CID20811318
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)C
InChIInChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/b6-5+
InChIKeyGCBDJHQUBANAEH-AATRIKPKSA-N
XLogP1.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylbutan-2-imine?
The IUPAC name of 3-methylbutan-2-imine (CID 20811318) is 3-methylbutan-2-imine.
What is the SMILES notation for 3-methylbutan-2-imine?
The canonical SMILES for 3-methylbutan-2-imine is [H]/N=C(\C)C(C)C.
What is the InChIKey of 3-methylbutan-2-imine?
The InChIKey is GCBDJHQUBANAEH-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11N/c1-4(2)5(3)6/h4,6H,1-3H3/b6-5+.
What are the key properties of 3-methylbutan-2-imine?
3-methylbutan-2-imine has a molecular weight of 85.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-imine is sourced from PubChem (CID 20811318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).