4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine

C12H19N3O2 — CID 67078043

IUPAC4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine
SMILESCOC1(Cc2ccnc(N)c2N)CCOCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(3-6-17-7-4-12)8-9-2-5-15-11(14)10(9)13/h2,5H,3-4,6-8,13H2,1H3,(H2,14,15)
InChIKeyZTKIYMLZHCWQTM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds3

About 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine

4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine (PubChem CID 67078043) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine
PubChem CID67078043
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine
SMILESCOC1(Cc2ccnc(N)c2N)CCOCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(3-6-17-7-4-12)8-9-2-5-15-11(14)10(9)13/h2,5H,3-4,6-8,13H2,1H3,(H2,14,15)
InChIKeyZTKIYMLZHCWQTM-UHFFFAOYSA-N
XLogP0.98
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxyethyl)pyridin-2-amine
CID 64088783
3-(4-Methoxybutyl)pyridin-2-amine
CID 64133200
4-Methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-amine
CID 64128665
1-(2-Amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147551
1-(2-Amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147862
(3-Fluoro-4-pyridinyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764527
(4-Ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methanamine
CID 116765507
4-(2-Methoxyethyl)-3-nitropyridin-2-amine
CID 19034816
4-(2-Methoxyethyl)-2-nitropyridin-3-amine
CID 19034985
(2-Ethoxyethyl)-2,3-pyridinediamine
CID 19911480
4-(1-Methoxybutan-2-yl)pyridine-2,3-diamine
CID 22052098
4-[4-(1-Methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine
CID 22052133

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine (CID 67078043) is 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine is COC1(Cc2ccnc(N)c2N)CCOCC1.
What is the InChIKey of 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine?
The InChIKey is ZTKIYMLZHCWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-12(3-6-17-7-4-12)8-9-2-5-15-11(14)10(9)13/h2,5H,3-4,6-8,13H2,1H3,(H2,14,15).
What are the key properties of 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine?
4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine has a molecular weight of 237.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyoxan-4-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 67078043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).