N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C13H23N3S — CID 65140442

IUPACN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3S/c1-10(2)14-7-11-8-15-13(16-11)9-17-12-5-3-4-6-12/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyASKICQYSVQMBFH-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.08
Rot. Bonds6

About N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 65140442) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID65140442
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3S/c1-10(2)14-7-11-8-15-13(16-11)9-17-12-5-3-4-6-12/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyASKICQYSVQMBFH-UHFFFAOYSA-N
XLogP3.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]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

N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65140494
N-[[2-(cyclohexylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65144469
[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methanol
CID 65140344
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 66065230
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 64986065
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
2-(cyclopentylsulfanylmethyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481280
N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109014
N-[[2-(butan-2-ylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65141714
N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65329562

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 65140442) is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(CSC2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is ASKICQYSVQMBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)14-7-11-8-15-13(16-11)9-17-12-5-3-4-6-12/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65140442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).