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

C12H19N3O — CID 82834810

IUPAC2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-15(2)12-11(6-3-7-13-12)14-9-10-5-4-8-16-10/h3,6-7,10,14H,4-5,8-9H2,1-2H3
InChIKeyOCUBCFAUKULGPS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds4

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

2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 82834810) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
PubChem CID82834810
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-15(2)12-11(6-3-7-13-12)14-9-10-5-4-8-16-10/h3,6-7,10,14H,4-5,8-9H2,1-2H3
InChIKeyOCUBCFAUKULGPS-UHFFFAOYSA-N
XLogP1.74
TPSA37.39 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23481517
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23481607

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine (CID 82834810) is 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine is CN(C)c1ncccc1NCC1CCCO1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is OCUBCFAUKULGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(2)12-11(6-3-7-13-12)14-9-10-5-4-8-16-10/h3,6-7,10,14H,4-5,8-9H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 82834810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).