2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine

C12H21N3O — CID 86341289

IUPAC2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine
SMILESCN(CC1CCOCC1)C1C=CC(N)=CN1
InChIInChI=1S/C12H21N3O/c1-15(9-10-4-6-16-7-5-10)12-3-2-11(13)8-14-12/h2-3,8,10,12,14H,4-7,9,13H2,1H3
InChIKeyNUNBYVFZEDDQMK-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.63
Rot. Bonds3

About 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine

2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine (PubChem CID 86341289) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine
PubChem CID86341289
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine
SMILESCN(CC1CCOCC1)C1C=CC(N)=CN1
InChIInChI=1S/C12H21N3O/c1-15(9-10-4-6-16-7-5-10)12-3-2-11(13)8-14-12/h2-3,8,10,12,14H,4-7,9,13H2,1H3
InChIKeyNUNBYVFZEDDQMK-UHFFFAOYSA-N
XLogP0.63
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine (CID 86341289) is 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine is CN(CC1CCOCC1)C1C=CC(N)=CN1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine?
The InChIKey is NUNBYVFZEDDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15(9-10-4-6-16-7-5-10)12-3-2-11(13)8-14-12/h2-3,8,10,12,14H,4-7,9,13H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine?
2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-ylmethyl)-1,2-dihydropyridine-2,5-diamine is sourced from PubChem (CID 86341289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).