N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H21N3S — CID 62574703

IUPACN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cccs1)CCc1ccccn1
InChIInChI=1S/C15H21N3S/c1-18(10-7-14-5-2-3-8-17-14)11-9-16-13-15-6-4-12-19-15/h2-6,8,12,16H,7,9-11,13H2,1H3
InChIKeyCVAYTPZTOBLWSX-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.41
Rot. Bonds8

About N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62574703) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62574703
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cccs1)CCc1ccccn1
InChIInChI=1S/C15H21N3S/c1-18(10-7-14-5-2-3-8-17-14)11-9-16-13-15-6-4-12-19-15/h2-6,8,12,16H,7,9-11,13H2,1H3
InChIKeyCVAYTPZTOBLWSX-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573416
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-methyl-1-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111191177
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63836860
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62574703) is N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(CCNCc1cccs1)CCc1ccccn1.
What is the InChIKey of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CVAYTPZTOBLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18(10-7-14-5-2-3-8-17-14)11-9-16-13-15-6-4-12-19-15/h2-6,8,12,16H,7,9-11,13H2,1H3.
What are the key properties of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.41, 8 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-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62574703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).