3-methoxypropane-1,2-diamine

C4H12N2O — CID 15004706

IUPAC3-methoxypropane-1,2-diamine
SMILESCOCC(N)CN
InChIInChI=1S/C4H12N2O/c1-7-3-4(6)2-5/h4H,2-3,5-6H2,1H3
InChIKeyLNPOMYDQIBCEEO-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.08
Rot. Bonds3

About 3-methoxypropane-1,2-diamine

3-methoxypropane-1,2-diamine (PubChem CID 15004706) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxypropane-1,2-diamine
PubChem CID15004706
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name3-methoxypropane-1,2-diamine
SMILESCOCC(N)CN
InChIInChI=1S/C4H12N2O/c1-7-3-4(6)2-5/h4H,2-3,5-6H2,1H3
InChIKeyLNPOMYDQIBCEEO-UHFFFAOYSA-N
XLogP-1.08
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropane-1,2-diamine?
The IUPAC name of 3-methoxypropane-1,2-diamine (CID 15004706) is 3-methoxypropane-1,2-diamine.
What is the SMILES notation for 3-methoxypropane-1,2-diamine?
The canonical SMILES for 3-methoxypropane-1,2-diamine is COCC(N)CN.
What is the InChIKey of 3-methoxypropane-1,2-diamine?
The InChIKey is LNPOMYDQIBCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-7-3-4(6)2-5/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-methoxypropane-1,2-diamine?
3-methoxypropane-1,2-diamine has a molecular weight of 104.15 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropane-1,2-diamine is sourced from PubChem (CID 15004706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).