2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine

C16H21N3 — CID 62475354

IUPAC2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
SMILESCCN(Cc1ccccc1C)c1ncc(N)cc1C
InChIInChI=1S/C16H21N3/c1-4-19(11-14-8-6-5-7-12(14)2)16-13(3)9-15(17)10-18-16/h5-10H,4,11,17H2,1-3H3
InChIKeyXJXSXBHLTLKDKT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.31
Rot. Bonds4

About 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine

2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine (PubChem CID 62475354) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
PubChem CID62475354
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
SMILESCCN(Cc1ccccc1C)c1ncc(N)cc1C
InChIInChI=1S/C16H21N3/c1-4-19(11-14-8-6-5-7-12(14)2)16-13(3)9-15(17)10-18-16/h5-10H,4,11,17H2,1-3H3
InChIKeyXJXSXBHLTLKDKT-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,5-diamine
CID 62476714
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61096622
2-[(5-amino-3-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
CID 62475667

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine (CID 62475354) is 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine is CCN(Cc1ccccc1C)c1ncc(N)cc1C.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine?
The InChIKey is XJXSXBHLTLKDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-19(11-14-8-6-5-7-12(14)2)16-13(3)9-15(17)10-18-16/h5-10H,4,11,17H2,1-3H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine?
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 62475354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).