1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

C12H23N3S — CID 79760461

IUPAC1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCn1ccnc1CC(N)CSCC(C)C
InChIInChI=1S/C12H23N3S/c1-4-15-6-5-14-12(15)7-11(13)9-16-8-10(2)3/h5-6,10-11H,4,7-9,13H2,1-3H3
InChIKeyBUTSMBMVKXLPPM-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.16
Rot. Bonds7

About 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 79760461) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID79760461
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCn1ccnc1CC(N)CSCC(C)C
InChIInChI=1S/C12H23N3S/c1-4-15-6-5-14-12(15)7-11(13)9-16-8-10(2)3/h5-6,10-11H,4,7-9,13H2,1-3H3
InChIKeyBUTSMBMVKXLPPM-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)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

Related Compounds

(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
CID 84592567
2-amino-3-[(1-ethylimidazol-2-yl)methylsulfanyl]propanoic acid
CID 62738079
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 79760461) is 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine is CCn1ccnc1CC(N)CSCC(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is BUTSMBMVKXLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-15-6-5-14-12(15)7-11(13)9-16-8-10(2)3/h5-6,10-11H,4,7-9,13H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 79760461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).