N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine

C15H23NS — CID 66098431

IUPACN-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSc1ccccc1C)NC
InChIInChI=1S/C15H23NS/c1-4-5-6-10-14(16-3)12-17-15-11-8-7-9-13(15)2/h4,7-9,11,14,16H,1,5-6,10,12H2,2-3H3
InChIKeyTUFCDNHUWLECCZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.03
Rot. Bonds8

About N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine

N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine (PubChem CID 66098431) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
PubChem CID66098431
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSc1ccccc1C)NC
InChIInChI=1S/C15H23NS/c1-4-5-6-10-14(16-3)12-17-15-11-8-7-9-13(15)2/h4,7-9,11,14,16H,1,5-6,10,12H2,2-3H3
InChIKeyTUFCDNHUWLECCZ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009286
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
CID 65135738
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
CID 66097582
[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
CID 105237458
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine (CID 66098431) is N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine is C=CCCCC(CSc1ccccc1C)NC.
What is the InChIKey of N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine?
The InChIKey is TUFCDNHUWLECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-5-6-10-14(16-3)12-17-15-11-8-7-9-13(15)2/h4,7-9,11,14,16H,1,5-6,10,12H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine?
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine has a molecular weight of 249.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine is sourced from PubChem (CID 66098431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).