2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine

C14H17N3 — CID 79020868

IUPAC2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-8-9-13(15)14(16-11)17(2)10-12-6-4-3-5-7-12/h3-9H,10,15H2,1-2H3
InChIKeyVIIHJNZXECMHLB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds3

About 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine

2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine (PubChem CID 79020868) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
PubChem CID79020868
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-8-9-13(15)14(16-11)17(2)10-12-6-4-3-5-7-12/h3-9H,10,15H2,1-2H3
InChIKeyVIIHJNZXECMHLB-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
2-N,6-dimethyl-2-N-propylpyridine-2,3-diamine
CID 81133237
2-N-(cyclopropylmethyl)-2-N,6-dimethylpyridine-2,3-diamine
CID 81131613
1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 81131762
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
CID 103077806
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 81132413
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
6-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 161474326

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine (CID 79020868) is 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine is Cc1ccc(N)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine?
The InChIKey is VIIHJNZXECMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-9-13(15)14(16-11)17(2)10-12-6-4-3-5-7-12/h3-9H,10,15H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine?
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 79020868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).