2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine

C9H15N3O — CID 103388537

IUPAC2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
SMILESCOc1ncccc1NC(C)CN
InChIInChI=1S/C9H15N3O/c1-7(6-10)12-8-4-3-5-11-9(8)13-2/h3-5,7,12H,6,10H2,1-2H3
InChIKeyIFEXASIXZKVHMR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine

2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine (PubChem CID 103388537) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
PubChem CID103388537
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
SMILESCOc1ncccc1NC(C)CN
InChIInChI=1S/C9H15N3O/c1-7(6-10)12-8-4-3-5-11-9(8)13-2/h3-5,7,12H,6,10H2,1-2H3
InChIKeyIFEXASIXZKVHMR-UHFFFAOYSA-N
XLogP0.85
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-ethoxy-3-pyridinyl)propane-1,2-diamine
CID 103388376
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
2-methoxy-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 43721890
2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830
2-methoxy-N-(1-phenylpropan-2-yl)pyridin-3-amine
CID 55148980
N-(1-cyclopropylethyl)-2-methoxypyridin-3-amine
CID 43721910
tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate
CID 103388538
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43721921
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine (CID 103388537) is 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine is COc1ncccc1NC(C)CN.
What is the InChIKey of 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine?
The InChIKey is IFEXASIXZKVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(6-10)12-8-4-3-5-11-9(8)13-2/h3-5,7,12H,6,10H2,1-2H3.
What are the key properties of 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine?
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 103388537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).