ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine

C17H29NS — CID 143245980

IUPACethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine
SMILESC=C(CSC)NCc1ccc(C)c(CCC)c1.CC
InChIInChI=1S/C15H23NS.C2H6/c1-5-6-15-9-14(8-7-12(15)2)10-16-13(3)11-17-4;1-2/h7-9,16H,3,5-6,10-11H2,1-2,4H3;1-2H3
InChIKeyGLFGNYVPVXAWPM-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.94
Rot. Bonds7

About ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine

ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine (PubChem CID 143245980) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine
PubChem CID143245980
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Nameethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine
SMILESC=C(CSC)NCc1ccc(C)c(CCC)c1.CC
InChIInChI=1S/C15H23NS.C2H6/c1-5-6-15-9-14(8-7-12(15)2)10-16-13(3)11-17-4;1-2/h7-9,16H,3,5-6,10-11H2,1-2,4H3;1-2H3
InChIKeyGLFGNYVPVXAWPM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155
N-[(3-methylphenyl)methyl]pent-1-en-2-amine
CID 166967486
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
1,4-dimethyl-2-[2-(methylsulfanylmethyl)prop-2-enyl]benzene
CID 146249408
N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide
CID 21499339
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
2-(2-methyl-5-propylphenyl)acetyl chloride
CID 59115312
4-(2-bromoethyl)-1-methyl-2-pentylbenzene
CID 23435940
N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
CID 134531448
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
N-[3-(3,4-dimethylphenyl)prop-1-en-2-yl]hexan-1-amine
CID 169229380
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine?
The IUPAC name of ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine (CID 143245980) is ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine.
What is the SMILES notation for ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine?
The canonical SMILES for ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine is C=C(CSC)NCc1ccc(C)c(CCC)c1.CC.
What is the InChIKey of ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine?
The InChIKey is GLFGNYVPVXAWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS.C2H6/c1-5-6-15-9-14(8-7-12(15)2)10-16-13(3)11-17-4;1-2/h7-9,16H,3,5-6,10-11H2,1-2,4H3;1-2H3.
What are the key properties of ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine?
ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine has a molecular weight of 279.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine is sourced from PubChem (CID 143245980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).