2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C10H19N3S — CID 63109029

IUPAC2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCSCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyULXCOWIZOGILEA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109029) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109029
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCSCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyULXCOWIZOGILEA-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-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 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109029) is 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CSCc1ncc(CNC(C)(C)C)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is ULXCOWIZOGILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13).
What are the key properties of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).