2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile

C10H16N4 — CID 66117738

IUPAC2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile
SMILESCCC(C)NC(C#N)c1cncn1C
InChIInChI=1S/C10H16N4/c1-4-8(2)13-9(5-11)10-6-12-7-14(10)3/h6-9,13H,4H2,1-3H3
InChIKeyVDXOPXUSFFMUNT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.37
Rot. Bonds4

About 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile

2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile (PubChem CID 66117738) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile
PubChem CID66117738
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile
SMILESCCC(C)NC(C#N)c1cncn1C
InChIInChI=1S/C10H16N4/c1-4-8(2)13-9(5-11)10-6-12-7-14(10)3/h6-9,13H,4H2,1-3H3
InChIKeyVDXOPXUSFFMUNT-UHFFFAOYSA-N
XLogP1.37
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-bromoanilino)-2-(3-methylimidazol-4-yl)acetonitrile
CID 66118163
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
2-(azepan-1-yl)-2-(3-methylimidazol-4-yl)acetonitrile
CID 66119034
2-amino-2-(3-propylimidazol-4-yl)acetonitrile
CID 66130812
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
CID 61023871
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
methyl 2-(butan-2-ylamino)-2-(3-propylimidazol-4-yl)acetate
CID 66131426
2-bromo-2-(3-propylimidazol-4-yl)acetonitrile
CID 83085488
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile (CID 66117738) is 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile is CCC(C)NC(C#N)c1cncn1C.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile?
The InChIKey is VDXOPXUSFFMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-8(2)13-9(5-11)10-6-12-7-14(10)3/h6-9,13H,4H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile?
2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 66117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).