N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C9H17N3S — CID 63965505

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cnc[nH]1
InChIInChI=1S/C9H17N3S/c1-8(6-13-2)3-10-4-9-5-11-7-12-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyNSGSOOGNVLICRV-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.50
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63965505) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63965505
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cnc[nH]1
InChIInChI=1S/C9H17N3S/c1-8(6-13-2)3-10-4-9-5-11-7-12-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyNSGSOOGNVLICRV-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-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-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993213
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 63982340
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 104895216
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115607122
N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
CID 62761606
3-(1H-imidazol-5-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 115642715

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 63965505) is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is NSGSOOGNVLICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8(6-13-2)3-10-4-9-5-11-7-12-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63965505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).