3,3-dimethylbutan-2-imine

C6H13N — CID 11221343

IUPAC3,3-dimethylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/b7-5+
InChIKeyFLOXAHMOMHDWSA-FNORWQNLSA-N
MW99.18 g/mol
LogP2.07
Rot. Bonds

About 3,3-dimethylbutan-2-imine

3,3-dimethylbutan-2-imine (PubChem CID 11221343) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name3,3-dimethylbutan-2-imine
PubChem CID11221343
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3,3-dimethylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/b7-5+
InChIKeyFLOXAHMOMHDWSA-FNORWQNLSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,3-dimethylbutan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-imine?
The IUPAC name of 3,3-dimethylbutan-2-imine (CID 11221343) is 3,3-dimethylbutan-2-imine.
What is the SMILES notation for 3,3-dimethylbutan-2-imine?
The canonical SMILES for 3,3-dimethylbutan-2-imine is [H]/N=C(\C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-imine?
The InChIKey is FLOXAHMOMHDWSA-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/b7-5+.
What are the key properties of 3,3-dimethylbutan-2-imine?
3,3-dimethylbutan-2-imine has a molecular weight of 99.18 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-imine is sourced from PubChem (CID 11221343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).