1-propoxypropane-1,1-diamine

C6H16N2O — CID 22229110

IUPAC1-propoxypropane-1,1-diamine
SMILESCCCOC(N)(N)CC
InChIInChI=1S/C6H16N2O/c1-3-5-9-6(7,8)4-2/h3-5,7-8H2,1-2H3
InChIKeyHSGKSNXNPHWVEA-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.39
Rot. Bonds4

About 1-propoxypropane-1,1-diamine

1-propoxypropane-1,1-diamine (PubChem CID 22229110) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-propoxypropane-1,1-diamine.

Molecular Properties

Compound Name1-propoxypropane-1,1-diamine
PubChem CID22229110
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-propoxypropane-1,1-diamine
SMILESCCCOC(N)(N)CC
InChIInChI=1S/C6H16N2O/c1-3-5-9-6(7,8)4-2/h3-5,7-8H2,1-2H3
InChIKeyHSGKSNXNPHWVEA-UHFFFAOYSA-N
XLogP0.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propoxypropane-1,1-diamine?
The IUPAC name of 1-propoxypropane-1,1-diamine (CID 22229110) is 1-propoxypropane-1,1-diamine.
What is the SMILES notation for 1-propoxypropane-1,1-diamine?
The canonical SMILES for 1-propoxypropane-1,1-diamine is CCCOC(N)(N)CC.
What is the InChIKey of 1-propoxypropane-1,1-diamine?
The InChIKey is HSGKSNXNPHWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-5-9-6(7,8)4-2/h3-5,7-8H2,1-2H3.
What are the key properties of 1-propoxypropane-1,1-diamine?
1-propoxypropane-1,1-diamine has a molecular weight of 132.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxypropane-1,1-diamine is sourced from PubChem (CID 22229110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).