N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

C17H24N2S — CID 79493768

IUPACN,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H24N2S/c1-14(12-16-10-7-11-20-16)19(3)17(13-18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3
InChIKeyAGXAUSWQZTZKAC-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.57
Rot. Bonds7

About N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 79493768) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID79493768
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H24N2S/c1-14(12-16-10-7-11-20-16)19(3)17(13-18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3
InChIKeyAGXAUSWQZTZKAC-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
CID 79486169
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (CID 79493768) is N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is CNCC(c1ccccc1)N(C)C(C)Cc1cccs1.
What is the InChIKey of N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is AGXAUSWQZTZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14(12-16-10-7-11-20-16)19(3)17(13-18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).