6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine

C12H19N3O — CID 80646622

IUPAC6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
SMILESCCN(CC1CCCO1)c1cccc(N)n1
InChIInChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14)
InChIKeyOKMRVJBSGMSQBQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine

6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 80646622) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
PubChem CID80646622
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
SMILESCCN(CC1CCCO1)c1cccc(N)n1
InChIInChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14)
InChIKeyOKMRVJBSGMSQBQ-UHFFFAOYSA-N
XLogP1.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61435500
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine (CID 80646622) is 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine is CCN(CC1CCCO1)c1cccc(N)n1.
What is the InChIKey of 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is OKMRVJBSGMSQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14).
What are the key properties of 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine?
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80646622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).