1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

C17H24N2S — CID 115376974

IUPAC1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCc1ccc(C(C)Nc2ccc(C)c(N(C)C)c2)s1
InChIInChI=1S/C17H24N2S/c1-6-15-9-10-17(20-15)13(3)18-14-8-7-12(2)16(11-14)19(4)5/h7-11,13,18H,6H2,1-5H3
InChIKeyVGPAAXBLEHSPHP-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.86
Rot. Bonds5

About 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115376974) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115376974
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCc1ccc(C(C)Nc2ccc(C)c(N(C)C)c2)s1
InChIInChI=1S/C17H24N2S/c1-6-15-9-10-17(20-15)13(3)18-14-8-7-12(2)16(11-14)19(4)5/h7-11,13,18H,6H2,1-5H3
InChIKeyVGPAAXBLEHSPHP-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine with MolForge

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Related Compounds

3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
CID 61335120
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 61335118
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-ethynylaniline
CID 61334720
N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61335117

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115376974) is 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is CCc1ccc(C(C)Nc2ccc(C)c(N(C)C)c2)s1.
What is the InChIKey of 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is VGPAAXBLEHSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-15-9-10-17(20-15)13(3)18-14-8-7-12(2)16(11-14)19(4)5/h7-11,13,18H,6H2,1-5H3.
What are the key properties of 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 288.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).