N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C16H29N3S — CID 65140274

IUPACN-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1nccn1CCC
InChIInChI=1S/C16H29N3S/c1-3-9-17-15(13-20-14-7-5-6-8-14)16-18-10-12-19(16)11-4-2/h10,12,14-15,17H,3-9,11,13H2,1-2H3
InChIKeyXNTFMCDFFXSRFO-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.01
Rot. Bonds9

About N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 65140274) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID65140274
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1nccn1CCC
InChIInChI=1S/C16H29N3S/c1-3-9-17-15(13-20-14-7-5-6-8-14)16-18-10-12-19(16)11-4-2/h10,12,14-15,17H,3-9,11,13H2,1-2H3
InChIKeyXNTFMCDFFXSRFO-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]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-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 65140274) is N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(CSC1CCCC1)c1nccn1CCC.
What is the InChIKey of N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is XNTFMCDFFXSRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-3-9-17-15(13-20-14-7-5-6-8-14)16-18-10-12-19(16)11-4-2/h10,12,14-15,17H,3-9,11,13H2,1-2H3.
What are the key properties of N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65140274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).