azane;1-prop-2-enoxypropane

C6H15NO — CID 87450499

IUPACazane;1-prop-2-enoxypropane
SMILESC=CCOCCC.N
InChIInChI=1S/C6H12O.H3N/c1-3-5-7-6-4-2;/h3H,1,4-6H2,2H3;1H3
InChIKeySUUPKLAYMZUINL-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.76
Rot. Bonds4

About azane;1-prop-2-enoxypropane

azane;1-prop-2-enoxypropane (PubChem CID 87450499) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is azane;1-prop-2-enoxypropane.

Molecular Properties

Compound Nameazane;1-prop-2-enoxypropane
PubChem CID87450499
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameazane;1-prop-2-enoxypropane
SMILESC=CCOCCC.N
InChIInChI=1S/C6H12O.H3N/c1-3-5-7-6-4-2;/h3H,1,4-6H2,2H3;1H3
InChIKeySUUPKLAYMZUINL-UHFFFAOYSA-N
XLogP1.76
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;1-prop-2-enoxypropane
CID 157267338
1-prop-2-enoxypentane;zirconium
CID 175164581
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
propan-1-amine;3-prop-2-enoxyprop-1-ene
CID 88606342
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
formic acid;1-prop-2-enoxypentane
CID 174234349
oxirene;1-prop-2-enoxypentane
CID 175269271
3-prop-2-enoxy-1-propoxybutane
CID 173418975
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829

Frequently Asked Questions

What is the IUPAC name of azane;1-prop-2-enoxypropane?
The IUPAC name of azane;1-prop-2-enoxypropane (CID 87450499) is azane;1-prop-2-enoxypropane.
What is the SMILES notation for azane;1-prop-2-enoxypropane?
The canonical SMILES for azane;1-prop-2-enoxypropane is C=CCOCCC.N.
What is the InChIKey of azane;1-prop-2-enoxypropane?
The InChIKey is SUUPKLAYMZUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.H3N/c1-3-5-7-6-4-2;/h3H,1,4-6H2,2H3;1H3.
What are the key properties of azane;1-prop-2-enoxypropane?
azane;1-prop-2-enoxypropane has a molecular weight of 117.19 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-prop-2-enoxypropane is sourced from PubChem (CID 87450499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).