N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine

C13H25N3S — CID 65131968

IUPACN-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1nccn1CC
InChIInChI=1S/C13H25N3S/c1-5-7-14-12(10-17-11(3)4)13-15-8-9-16(13)6-2/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyBNZMUNUJKXIBDS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.09
Rot. Bonds8

About N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine

N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine (PubChem CID 65131968) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
PubChem CID65131968
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1nccn1CC
InChIInChI=1S/C13H25N3S/c1-5-7-14-12(10-17-11(3)4)13-15-8-9-16(13)6-2/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyBNZMUNUJKXIBDS-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-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

N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
CID 66096354
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105149787
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
N-[1-(1-ethylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63968142
[1-(1-ethylimidazol-2-yl)-2-methylsulfanylethyl]hydrazine
CID 105213757

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine (CID 65131968) is N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine is CCCNC(CSC(C)C)c1nccn1CC.
What is the InChIKey of N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The InChIKey is BNZMUNUJKXIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-14-12(10-17-11(3)4)13-15-8-9-16(13)6-2/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65131968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).