ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene

C19H32N2S — CID 142196125

IUPACethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene
SMILESCC.CCC(CNC)C(N)c1ccccc1.Cc1cccs1
InChIInChI=1S/C12H20N2.C5H6S.C2H6/c1-3-10(9-14-2)12(13)11-7-5-4-6-8-11;1-5-3-2-4-6-5;1-2/h4-8,10,12,14H,3,9,13H2,1-2H3;2-4H,1H3;1-2H3
InChIKeyNDSNUWONZYRSAW-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.01
Rot. Bonds5

About ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene

ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene (PubChem CID 142196125) has the molecular formula C19H32N2S and a molecular weight of 320.55 g/mol. Its IUPAC name is ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene.

Molecular Properties

Compound Nameethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene
PubChem CID142196125
Molecular FormulaC19H32N2S
Molecular Weight320.55 g/mol
Exact Mass320.23
IUPAC Nameethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene
SMILESCC.CCC(CNC)C(N)c1ccccc1.Cc1cccs1
InChIInChI=1S/C12H20N2.C5H6S.C2H6/c1-3-10(9-14-2)12(13)11-7-5-4-6-8-11;1-5-3-2-4-6-5;1-2/h4-8,10,12,14H,3,9,13H2,1-2H3;2-4H,1H3;1-2H3
InChIKeyNDSNUWONZYRSAW-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 116946508
2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 116946507
N-methylpropan-2-amine;2-methylthiophene
CID 142896326
ethane;2-methylthiophene
CID 90990568
2-methylthiophene
CID 143626612
2-methylthiophene;toluene
CID 142082990
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-methylthionine;dihydrate
CID 118481373
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene?
The IUPAC name of ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene (CID 142196125) is ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene.
What is the SMILES notation for ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene?
The canonical SMILES for ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene is CC.CCC(CNC)C(N)c1ccccc1.Cc1cccs1.
What is the InChIKey of ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene?
The InChIKey is NDSNUWONZYRSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C5H6S.C2H6/c1-3-10(9-14-2)12(13)11-7-5-4-6-8-11;1-5-3-2-4-6-5;1-2/h4-8,10,12,14H,3,9,13H2,1-2H3;2-4H,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene?
ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene has a molecular weight of 320.55 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene is sourced from PubChem (CID 142196125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).