N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine

C12H21N3S — CID 106582791

IUPACN-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine
SMILESCCC(CSC)n1cc(C)nc1NC1CC1
InChIInChI=1S/C12H21N3S/c1-4-11(8-16-3)15-7-9(2)13-12(15)14-10-5-6-10/h7,10-11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyGRJWDPKISHDSAL-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.08
Rot. Bonds6

About N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine

N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine (PubChem CID 106582791) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine
PubChem CID106582791
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine
SMILESCCC(CSC)n1cc(C)nc1NC1CC1
InChIInChI=1S/C12H21N3S/c1-4-11(8-16-3)15-7-9(2)13-12(15)14-10-5-6-10/h7,10-11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyGRJWDPKISHDSAL-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-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

Related Compounds

N-cyclopropyl-1-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
CID 106573549
N-cyclopropyl-1-(3-ethylpentan-2-yl)-4-methylimidazol-2-amine
CID 106572263
4-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylimidazol-2-amine
CID 106560158
N-cyclopentyl-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554830
1-(1-cyclohexylethyl)-N-cyclopropyl-4-methylimidazol-2-amine
CID 106571292
N-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-4-methylimidazol-2-amine
CID 106567767
N-(4-ethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564307
N-cyclopentyl-1-hexan-2-yl-4-methylimidazol-2-amine
CID 106569752
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine
CID 106567259
N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
CID 106572754
1,4-dimethyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560151

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine (CID 106582791) is N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine is CCC(CSC)n1cc(C)nc1NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine?
The InChIKey is GRJWDPKISHDSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11(8-16-3)15-7-9(2)13-12(15)14-10-5-6-10/h7,10-11H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine?
N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-(1-methylsulfanylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106582791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).