6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine

C18H31NS — CID 83160735

IUPAC6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)CSc1ccc(C)cc1
InChIInChI=1S/C18H31NS/c1-5-13-19-17(8-6-7-15(2)3)14-20-18-11-9-16(4)10-12-18/h9-12,15,17,19H,5-8,13-14H2,1-4H3
InChIKeyVKBXLWMBERPSEZ-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.28
Rot. Bonds10

About 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine

6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine (PubChem CID 83160735) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
PubChem CID83160735
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)CSc1ccc(C)cc1
InChIInChI=1S/C18H31NS/c1-5-13-19-17(8-6-7-15(2)3)14-20-18-11-9-16(4)10-12-18/h9-12,15,17,19H,5-8,13-14H2,1-4H3
InChIKeyVKBXLWMBERPSEZ-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
3-methyl-1-(4-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 107896580
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
1-(4-chlorophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66143217
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
9-methyl-N-propyldecan-5-amine
CID 83162126

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine (CID 83160735) is 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine is CCCNC(CCCC(C)C)CSc1ccc(C)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine?
The InChIKey is VKBXLWMBERPSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-5-13-19-17(8-6-7-15(2)3)14-20-18-11-9-16(4)10-12-18/h9-12,15,17,19H,5-8,13-14H2,1-4H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine?
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine has a molecular weight of 293.52 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine is sourced from PubChem (CID 83160735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).