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

C16H23N3S — CID 62573416

IUPACN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCCc1cccs1)CCc1ccccn1
InChIInChI=1S/C16H23N3S/c1-19(12-8-15-5-2-3-9-18-15)13-11-17-10-7-16-6-4-14-20-16/h2-6,9,14,17H,7-8,10-13H2,1H3
InChIKeyVINANEWACAMGBN-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.45
Rot. Bonds9

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

N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62573416) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62573416
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCCc1cccs1)CCc1ccccn1
InChIInChI=1S/C16H23N3S/c1-19(12-8-15-5-2-3-9-18-15)13-11-17-10-7-16-6-4-14-20-16/h2-6,9,14,17H,7-8,10-13H2,1H3
InChIKeyVINANEWACAMGBN-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.45
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-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62574703
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62573416) is N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CN(CCNCCc1cccs1)CCc1ccccn1.
What is the InChIKey of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is VINANEWACAMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-19(12-8-15-5-2-3-9-18-15)13-11-17-10-7-16-6-4-14-20-16/h2-6,9,14,17H,7-8,10-13H2,1H3.
What are the key properties of N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 2.45, 9 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-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).