2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine

C10H19N3S — CID 102969725

IUPAC2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
SMILESCSCCn1cncc1C(N)C(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)10(11)9-6-12-7-13(9)4-5-14-3/h6-8,10H,4-5,11H2,1-3H3
InChIKeyYBTOJPXJFDNQLK-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine

2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine (PubChem CID 102969725) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
PubChem CID102969725
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
SMILESCSCCn1cncc1C(N)C(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)10(11)9-6-12-7-13(9)4-5-14-3/h6-8,10H,4-5,11H2,1-3H3
InChIKeyYBTOJPXJFDNQLK-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[3-(5-methylsulfanylpentyl)imidazol-4-yl]propan-1-amine
CID 114128184
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
CID 102969836
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 102969562
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine (CID 102969725) is 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine is CSCCn1cncc1C(N)C(C)C.
What is the InChIKey of 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine?
The InChIKey is YBTOJPXJFDNQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)10(11)9-6-12-7-13(9)4-5-14-3/h6-8,10H,4-5,11H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).