N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine

C15H23NS — CID 79222635

IUPACN-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
SMILESCC1(CNCCSc2ccccc2)CCCC1
InChIInChI=1S/C15H23NS/c1-15(9-5-6-10-15)13-16-11-12-17-14-7-3-2-4-8-14/h2-4,7-8,16H,5-6,9-13H2,1H3
InChIKeyIQVCLIQLLWDULD-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.95
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine

N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine (PubChem CID 79222635) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
PubChem CID79222635
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
SMILESCC1(CNCCSc2ccccc2)CCCC1
InChIInChI=1S/C15H23NS/c1-15(9-5-6-10-15)13-16-11-12-17-14-7-3-2-4-8-14/h2-4,7-8,16H,5-6,9-13H2,1H3
InChIKeyIQVCLIQLLWDULD-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
2-[1-[(2-phenylsulfanylethylamino)methyl]cyclopropyl]ethanol
CID 114756288
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N'-[(1-methylcyclopentyl)methyl]-1-phenylbutane-1,4-diamine
CID 63831434
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]propan-1-amine
CID 79228495
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine (CID 79222635) is N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine is CC1(CNCCSc2ccccc2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is IQVCLIQLLWDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-15(9-5-6-10-15)13-16-11-12-17-14-7-3-2-4-8-14/h2-4,7-8,16H,5-6,9-13H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine?
N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine is sourced from PubChem (CID 79222635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).