Thenyldiamine

C14H19N3S — CID 7066

IUPACN,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2
InChIInChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyRCGYDFVCAAKKNG-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.00
Rot. Bonds6

About Thenyldiamine

Thenyldiamine (PubChem CID 7066) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameThenyldiamine
PubChem CID7066
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2
InChIInChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyRCGYDFVCAAKKNG-UHFFFAOYSA-N
XLogP3.00
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methapyrilene
CID 4098
N1-((5-Chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 8993
Methapyrilene Hydrochloride
CID 8667
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
Thenyldiamine Hydrochloride
CID 24180707
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
2-(2-Thenylamino)pyridine
CID 67323
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
4-Piperazin-1-ylthieno[3,2-c]pyridine;hydrochloride
CID 45259316
1-[3-(4-Fluorophenyl)sulfanylpropyl]-4-pyridin-2-ylpiperazine
CID 57401706

Frequently Asked Questions

What is the IUPAC name of Thenyldiamine?
The IUPAC name of Thenyldiamine (CID 7066) is N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for Thenyldiamine?
The canonical SMILES for Thenyldiamine is CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2.
What is the InChIKey of Thenyldiamine?
The InChIKey is RCGYDFVCAAKKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of Thenyldiamine?
Thenyldiamine has a molecular weight of 261.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Thenyldiamine is sourced from PubChem (CID 7066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).