N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine

C9H17N3S — CID 63983613

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cnc(C)[nH]1
InChIInChI=1S/C9H17N3S/c1-8-11-7-9(12-8)6-10-4-3-5-13-2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZLFXGJSJQIVZGM-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.56
Rot. Bonds6

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 63983613) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID63983613
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cnc(C)[nH]1
InChIInChI=1S/C9H17N3S/c1-8-11-7-9(12-8)6-10-4-3-5-13-2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZLFXGJSJQIVZGM-UHFFFAOYSA-N
XLogP1.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547501
2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 103859407
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 63983613) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine is CSCCCNCc1cnc(C)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is ZLFXGJSJQIVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8-11-7-9(12-8)6-10-4-3-5-13-2/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63983613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).