6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine

C12H19N3O — CID 83040213

IUPAC6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
SMILESCC1(C)CC(Nc2cccc(N)n2)CCO1
InChIInChI=1S/C12H19N3O/c1-12(2)8-9(6-7-16-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15)
InChIKeyZBFUBJRMLXVYST-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds2

About 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine

6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine (PubChem CID 83040213) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
PubChem CID83040213
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
SMILESCC1(C)CC(Nc2cccc(N)n2)CCO1
InChIInChI=1S/C12H19N3O/c1-12(2)8-9(6-7-16-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15)
InChIKeyZBFUBJRMLXVYST-UHFFFAOYSA-N
XLogP2.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
CID 113336612
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
CID 114541691
6-N-(oxan-4-yl)pyridine-2,6-diamine
CID 80648181
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
6-N-cycloheptylpyridine-2,6-diamine
CID 80647951

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine (CID 83040213) is 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine is CC1(C)CC(Nc2cccc(N)n2)CCO1.
What is the InChIKey of 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine?
The InChIKey is ZBFUBJRMLXVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)8-9(6-7-16-12)14-11-5-3-4-10(13)15-11/h3-5,9H,6-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine?
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 83040213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).