N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine

C16H25NS — CID 62720496

IUPACN-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCC1CCCC(SCCNCc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-14-6-5-9-16(12-14)18-11-10-17-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyBCZXVEHZMBYUGL-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.09
Rot. Bonds6

About N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine

N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine (PubChem CID 62720496) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine.

Molecular Properties

Compound NameN-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
PubChem CID62720496
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCC1CCCC(SCCNCc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-14-6-5-9-16(12-14)18-11-10-17-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyBCZXVEHZMBYUGL-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.09
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

N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
[3-[2-(3-methylcyclohexyl)sulfanylethoxy]phenyl]methanamine
CID 62721358
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]propan-1-amine
CID 63808662
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
ethylbenzene;methylcyclobutane
CID 176989756
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-benzyl-2-[(1S,3S)-3-phenylcyclohexyl]ethanamine
CID 162671258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The IUPAC name of N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine (CID 62720496) is N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine.
What is the SMILES notation for N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The canonical SMILES for N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine is CC1CCCC(SCCNCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The InChIKey is BCZXVEHZMBYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-14-6-5-9-16(12-14)18-11-10-17-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3.
What are the key properties of N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine?
N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine is sourced from PubChem (CID 62720496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).