2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine

C13H21N3O — CID 83027817

IUPAC2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(NC2CCOC(C)(C)C2)c1N
InChIInChI=1S/C13H21N3O/c1-9-4-6-15-12(11(9)14)16-10-5-7-17-13(2,3)8-10/h4,6,10H,5,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNGDIBDJOUDRZLZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds2

About 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine

2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine (PubChem CID 83027817) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
PubChem CID83027817
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(NC2CCOC(C)(C)C2)c1N
InChIInChI=1S/C13H21N3O/c1-9-4-6-15-12(11(9)14)16-10-5-7-17-13(2,3)8-10/h4,6,10H,5,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNGDIBDJOUDRZLZ-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
N-(2,2-dimethyloxan-4-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385751
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
CID 83028141
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-3-carbothioamide
CID 83029228
N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115563757
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
CID 83029129

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine (CID 83027817) is 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine is Cc1ccnc(NC2CCOC(C)(C)C2)c1N.
What is the InChIKey of 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine?
The InChIKey is NGDIBDJOUDRZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-6-15-12(11(9)14)16-10-5-7-17-13(2,3)8-10/h4,6,10H,5,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine?
2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 83027817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).