3-prop-1-enoxypropane-1,1-diamine

C6H14N2O — CID 141342254

IUPAC3-prop-1-enoxypropane-1,1-diamine
SMILESCC=COCCC(N)N
InChIInChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h2,4,6H,3,5,7-8H2,1H3
InChIKeyFKMNTMGHBIARCV-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.17
Rot. Bonds4

About 3-prop-1-enoxypropane-1,1-diamine

3-prop-1-enoxypropane-1,1-diamine (PubChem CID 141342254) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-prop-1-enoxypropane-1,1-diamine.

Molecular Properties

Compound Name3-prop-1-enoxypropane-1,1-diamine
PubChem CID141342254
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-prop-1-enoxypropane-1,1-diamine
SMILESCC=COCCC(N)N
InChIInChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h2,4,6H,3,5,7-8H2,1H3
InChIKeyFKMNTMGHBIARCV-UHFFFAOYSA-N
XLogP0.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enoxypropane-1,1-diamine?
The IUPAC name of 3-prop-1-enoxypropane-1,1-diamine (CID 141342254) is 3-prop-1-enoxypropane-1,1-diamine.
What is the SMILES notation for 3-prop-1-enoxypropane-1,1-diamine?
The canonical SMILES for 3-prop-1-enoxypropane-1,1-diamine is CC=COCCC(N)N.
What is the InChIKey of 3-prop-1-enoxypropane-1,1-diamine?
The InChIKey is FKMNTMGHBIARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-4-9-5-3-6(7)8/h2,4,6H,3,5,7-8H2,1H3.
What are the key properties of 3-prop-1-enoxypropane-1,1-diamine?
3-prop-1-enoxypropane-1,1-diamine has a molecular weight of 130.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enoxypropane-1,1-diamine is sourced from PubChem (CID 141342254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).