3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine

C16H22N2S — CID 115377070

IUPAC3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-5-14(16-7-6-10-19-16)17-13-9-8-12(2)15(11-13)18(3)4/h6-11,14,17H,5H2,1-4H3
InChIKeyOACGRVWZSWLZOH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.69
Rot. Bonds5

About 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine (PubChem CID 115377070) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
PubChem CID115377070
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-5-14(16-7-6-10-19-16)17-13-9-8-12(2)15(11-13)18(3)4/h6-11,14,17H,5H2,1-4H3
InChIKeyOACGRVWZSWLZOH-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
CID 60943707
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
2-nitro-5-(1-thiophen-2-ylpropylamino)benzonitrile
CID 115500249
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine (CID 115377070) is 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine is CCC(Nc1ccc(C)c(N(C)C)c1)c1cccs1.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The InChIKey is OACGRVWZSWLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-14(16-7-6-10-19-16)17-13-9-8-12(2)15(11-13)18(3)4/h6-11,14,17H,5H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine has a molecular weight of 274.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 115377070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).