N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine

C10H19N3S — CID 114530130

IUPACN-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
SMILESCNC(CCc1nccn1C)CSC
InChIInChI=1S/C10H19N3S/c1-11-9(8-14-3)4-5-10-12-6-7-13(10)2/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyVJQXZQRKXFFRFK-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.30
Rot. Bonds6

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

N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine (PubChem CID 114530130) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
PubChem CID114530130
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
SMILESCNC(CCc1nccn1C)CSC
InChIInChI=1S/C10H19N3S/c1-11-9(8-14-3)4-5-10-12-6-7-13(10)2/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyVJQXZQRKXFFRFK-UHFFFAOYSA-N
XLogP1.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-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

1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N,4-dimethyl-6-(1-methylimidazol-2-yl)hexan-2-amine
CID 114532144
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine (CID 114530130) is N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine is CNC(CCc1nccn1C)CSC.
What is the InChIKey of N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine?
The InChIKey is VJQXZQRKXFFRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-11-9(8-14-3)4-5-10-12-6-7-13(10)2/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine?
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 114530130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).