2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine

C11H21N3 — CID 62448325

IUPAC2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)n1ccnc1
InChIInChI=1S/C11H21N3/c1-4-11(8-13-7-10(2)3)14-6-5-12-9-14/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyDCGUJTBCSNDZPE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.08
Rot. Bonds6

About 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine

2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62448325) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
PubChem CID62448325
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)n1ccnc1
InChIInChI=1S/C11H21N3/c1-4-11(8-13-7-10(2)3)14-6-5-12-9-14/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyDCGUJTBCSNDZPE-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-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 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine (CID 62448325) is 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DCGUJTBCSNDZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(8-13-7-10(2)3)14-6-5-12-9-14/h5-6,9-11,13H,4,7-8H2,1-3H3.
What are the key properties of 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine?
2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62448325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).