4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine

C16H25NS — CID 79185729

IUPAC4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSc1ccccc1C)NCCC
InChIInChI=1S/C16H25NS/c1-5-10-17-15(11-13(2)3)12-18-16-9-7-6-8-14(16)4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyXEIHJFLEJSKPEG-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.42
Rot. Bonds8

About 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine

4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine (PubChem CID 79185729) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
PubChem CID79185729
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSc1ccccc1C)NCCC
InChIInChI=1S/C16H25NS/c1-5-10-17-15(11-13(2)3)12-18-16-9-7-6-8-14(16)4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyXEIHJFLEJSKPEG-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine?
The IUPAC name of 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine (CID 79185729) is 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine is C=C(C)CC(CSc1ccccc1C)NCCC.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine?
The InChIKey is XEIHJFLEJSKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-5-10-17-15(11-13(2)3)12-18-16-9-7-6-8-14(16)4/h6-9,15,17H,2,5,10-12H2,1,3-4H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine?
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 79185729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).