3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine

C9H15N3O — CID 106182027

IUPAC3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
SMILESCOCC(CN)Nc1ccncc1
InChIInChI=1S/C9H15N3O/c1-13-7-9(6-10)12-8-2-4-11-5-3-8/h2-5,9H,6-7,10H2,1H3,(H,11,12)
InChIKeyAADDVGDHYVYHBO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.47
Rot. Bonds5

About 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine

3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine (PubChem CID 106182027) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
PubChem CID106182027
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
SMILESCOCC(CN)Nc1ccncc1
InChIInChI=1S/C9H15N3O/c1-13-7-9(6-10)12-8-2-4-11-5-3-8/h2-5,9H,6-7,10H2,1H3,(H,11,12)
InChIKeyAADDVGDHYVYHBO-UHFFFAOYSA-N
XLogP0.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 126974215
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide
CID 106181963
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106182281
2-(4-aminoanilino)-3-methoxypropan-1-ol
CID 106183923
3-methoxy-2-N-(6-propan-2-yloxypyrazin-2-yl)propane-1,2-diamine
CID 114154990

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine (CID 106182027) is 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine is COCC(CN)Nc1ccncc1.
What is the InChIKey of 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is AADDVGDHYVYHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-9(6-10)12-8-2-4-11-5-3-8/h2-5,9H,6-7,10H2,1H3,(H,11,12).
What are the key properties of 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine?
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 106182027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).