5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine

C18H24N2S — CID 104926413

IUPAC5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
SMILESCSCCCCCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H24N2S/c1-21-15-9-3-7-14-20-18(16-10-4-2-5-11-16)17-12-6-8-13-19-17/h2,4-6,8,10-13,18,20H,3,7,9,14-15H2,1H3
InChIKeyKKRYCLDBVSORFO-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.29
Rot. Bonds9

About 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine

5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine (PubChem CID 104926413) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
PubChem CID104926413
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
SMILESCSCCCCCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H24N2S/c1-21-15-9-3-7-14-20-18(16-10-4-2-5-11-16)17-12-6-8-13-19-17/h2,4-6,8,10-13,18,20H,3,7,9,14-15H2,1H3
InChIKeyKKRYCLDBVSORFO-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104926281
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
CID 55625647
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol
CID 110011313

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine (CID 104926413) is 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine is CSCCCCCNC(c1ccccc1)c1ccccn1.
What is the InChIKey of 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine?
The InChIKey is KKRYCLDBVSORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-21-15-9-3-7-14-20-18(16-10-4-2-5-11-16)17-12-6-8-13-19-17/h2,4-6,8,10-13,18,20H,3,7,9,14-15H2,1H3.
What are the key properties of 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine?
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 104926413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).