2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine

C13H25N3S — CID 113474451

IUPAC2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCSCCCn1c(CNC(C)(C)C)cnc1C
InChIInChI=1S/C13H25N3S/c1-11-14-9-12(10-15-13(2,3)4)16(11)7-6-8-17-5/h9,15H,6-8,10H2,1-5H3
InChIKeyYSAFKCXNIIZVDA-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.83
Rot. Bonds6

About 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 113474451) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID113474451
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCSCCCn1c(CNC(C)(C)C)cnc1C
InChIInChI=1S/C13H25N3S/c1-11-14-9-12(10-15-13(2,3)4)16(11)7-6-8-17-5/h9,15H,6-8,10H2,1-5H3
InChIKeyYSAFKCXNIIZVDA-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine (CID 113474451) is 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine is CSCCCn1c(CNC(C)(C)C)cnc1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YSAFKCXNIIZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-11-14-9-12(10-15-13(2,3)4)16(11)7-6-8-17-5/h9,15H,6-8,10H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 113474451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).