1-imidazol-1-yl-3,3-dimethylbutan-2-amine

C9H17N3 — CID 4310329

IUPAC1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cn1ccnc1
InChIInChI=1S/C9H17N3/c1-9(2,3)8(10)6-12-5-4-11-7-12/h4-5,7-8H,6,10H2,1-3H3
InChIKeyLBMYOBPKNFXLIA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.26
Rot. Bonds2

About 1-imidazol-1-yl-3,3-dimethylbutan-2-amine

1-imidazol-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 4310329) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-imidazol-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-3,3-dimethylbutan-2-amine
PubChem CID4310329
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cn1ccnc1
InChIInChI=1S/C9H17N3/c1-9(2,3)8(10)6-12-5-4-11-7-12/h4-5,7-8H,6,10H2,1-3H3
InChIKeyLBMYOBPKNFXLIA-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-imidazol-1-yl-3,3-dimethylbutan-2-amine 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 1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-imidazol-1-yl-3,3-dimethylbutan-2-amine (CID 4310329) is 1-imidazol-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is LBMYOBPKNFXLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)8(10)6-12-5-4-11-7-12/h4-5,7-8H,6,10H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
1-imidazol-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 4310329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).