N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine

C14H19N3S — CID 54945196

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1cccs1
InChIInChI=1S/C14H19N3S/c1-17(9-6-12-4-7-16-8-5-12)13(11-15)14-3-2-10-18-14/h2-5,7-8,10,13H,6,9,11,15H2,1H3
InChIKeyJRPZOXFVHMJNLP-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.32
Rot. Bonds6

About N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine

N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 54945196) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID54945196
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1cccs1
InChIInChI=1S/C14H19N3S/c1-17(9-6-12-4-7-16-8-5-12)13(11-15)14-3-2-10-18-14/h2-5,7-8,10,13H,6,9,11,15H2,1H3
InChIKeyJRPZOXFVHMJNLP-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60915259
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
N-methyl-N-(2-phenylethyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65483504
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine (CID 54945196) is N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine is CN(CCc1ccncc1)C(CN)c1cccs1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is JRPZOXFVHMJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(9-6-12-4-7-16-8-5-12)13(11-15)14-3-2-10-18-14/h2-5,7-8,10,13H,6,9,11,15H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine?
N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 54945196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).