N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C17H23N3 — CID 62574145

IUPACN'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1ccccn1)c1ccccc1C
InChIInChI=1S/C17H23N3/c1-3-20(17-10-5-4-8-15(17)2)13-12-18-14-16-9-6-7-11-19-16/h4-11,18H,3,12-14H2,1-2H3
InChIKeyJMKMHAIHZFLEDZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.01
Rot. Bonds7

About N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62574145) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID62574145
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1ccccn1)c1ccccc1C
InChIInChI=1S/C17H23N3/c1-3-20(17-10-5-4-8-15(17)2)13-12-18-14-16-9-6-7-11-19-16/h4-11,18H,3,12-14H2,1-2H3
InChIKeyJMKMHAIHZFLEDZ-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 62574145) is N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CCN(CCNCc1ccccn1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JMKMHAIHZFLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(17-10-5-4-8-15(17)2)13-12-18-14-16-9-6-7-11-19-16/h4-11,18H,3,12-14H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62574145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).