6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine

C14H23NS — CID 144843276

IUPAC6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine
SMILESCSNCCCCCCc1ccc(C)cc1
InChIInChI=1S/C14H23NS/c1-13-8-10-14(11-9-13)7-5-3-4-6-12-15-16-2/h8-11,15H,3-7,12H2,1-2H3
InChIKeyAXZULEPODIIFHE-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.97
Rot. Bonds8

About 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine

6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine (PubChem CID 144843276) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine
PubChem CID144843276
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine
SMILESCSNCCCCCCc1ccc(C)cc1
InChIInChI=1S/C14H23NS/c1-13-8-10-14(11-9-13)7-5-3-4-6-12-15-16-2/h8-11,15H,3-7,12H2,1-2H3
InChIKeyAXZULEPODIIFHE-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
5-(4-methylphenyl)-N-prop-2-ynylpentan-1-amine
CID 123635009
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
1-methyl-4-octylbenzene
CID 11052746
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
1-(3-chloropropyl)-4-methylbenzene
CID 12932085
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
CID 70388398
CID 70388398

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine?
The IUPAC name of 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine (CID 144843276) is 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine.
What is the SMILES notation for 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine?
The canonical SMILES for 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine is CSNCCCCCCc1ccc(C)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine?
The InChIKey is AXZULEPODIIFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13-8-10-14(11-9-13)7-5-3-4-6-12-15-16-2/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine?
6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine is sourced from PubChem (CID 144843276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).