3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine

C12H21N3O2 — CID 104540169

IUPAC3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
SMILESCOCCN(c1cccnc1N)C(C)COC
InChIInChI=1S/C12H21N3O2/c1-10(9-17-3)15(7-8-16-2)11-5-4-6-14-12(11)13/h4-6,10H,7-9H2,1-3H3,(H2,13,14)
InChIKeyKVHDLKXDNFOPIK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.15
Rot. Bonds7

About 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine (PubChem CID 104540169) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
PubChem CID104540169
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
SMILESCOCCN(c1cccnc1N)C(C)COC
InChIInChI=1S/C12H21N3O2/c1-10(9-17-3)15(7-8-16-2)11-5-4-6-14-12(11)13/h4-6,10H,7-9H2,1-3H3,(H2,13,14)
InChIKeyKVHDLKXDNFOPIK-UHFFFAOYSA-N
XLogP1.15
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
CID 114055511
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-3-amine
CID 104739958
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
3-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 104742102
2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547062

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine (CID 104540169) is 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine is COCCN(c1cccnc1N)C(C)COC.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The InChIKey is KVHDLKXDNFOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(9-17-3)15(7-8-16-2)11-5-4-6-14-12(11)13/h4-6,10H,7-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 104540169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).