2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine

C15H23NS — CID 79337574

IUPAC2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccc(C=C(C)CNCC(C)C)cc1
InChIInChI=1S/C15H23NS/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeySVPVABRPZPAKJG-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.06
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine

2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 79337574) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
PubChem CID79337574
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccc(C=C(C)CNCC(C)C)cc1
InChIInChI=1S/C15H23NS/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeySVPVABRPZPAKJG-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
(E)-2-methyl-N-(2-methylpropyl)-3-(2,3,6-trichlorophenyl)prop-2-en-1-amine
CID 79337266
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine (CID 79337574) is 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine is CSc1ccc(C=C(C)CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is SVPVABRPZPAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(2)10-16-11-13(3)9-14-5-7-15(17-4)8-6-14/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine?
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79337574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).