3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine

C12H19N3O — CID 104540056

IUPAC3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
SMILESCCN(CC1CCCO1)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)11-6-3-7-14-12(11)13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14)
InChIKeyXUDFXWQFXULOLI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine

3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 104540056) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
PubChem CID104540056
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
SMILESCCN(CC1CCCO1)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)11-6-3-7-14-12(11)13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14)
InChIKeyXUDFXWQFXULOLI-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

2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
CID 107932790
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine (CID 104540056) is 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine is CCN(CC1CCCO1)c1cccnc1N.
What is the InChIKey of 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is XUDFXWQFXULOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15(9-10-5-4-8-16-10)11-6-3-7-14-12(11)13/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14).
What are the key properties of 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-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 3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).