propan-1-amine;3-prop-2-enoxyprop-1-ene

C9H19NO — CID 88606342

IUPACpropan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCN
InChIInChI=1S/C6H10O.C3H9N/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-4H2,1H3
InChIKeyXXIIAYYTMCLLCX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds5

About propan-1-amine;3-prop-2-enoxyprop-1-ene

propan-1-amine;3-prop-2-enoxyprop-1-ene (PubChem CID 88606342) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is propan-1-amine;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namepropan-1-amine;3-prop-2-enoxyprop-1-ene
PubChem CID88606342
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namepropan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCN
InChIInChI=1S/C6H10O.C3H9N/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-4H2,1H3
InChIKeyXXIIAYYTMCLLCX-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.73
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

ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
Potassium allyloxide
CID 87828396
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
CID 87625662
CID 87625662
1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene
CID 173130431
1-prop-2-enoxypentane;zirconium
CID 175164581
tetrakis(propan-1-amine);hydrochloride
CID 175147517
methanamine;propan-1-amine
CID 174401189

Frequently Asked Questions

What is the IUPAC name of propan-1-amine;3-prop-2-enoxyprop-1-ene?
The IUPAC name of propan-1-amine;3-prop-2-enoxyprop-1-ene (CID 88606342) is propan-1-amine;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for propan-1-amine;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for propan-1-amine;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCCN.
What is the InChIKey of propan-1-amine;3-prop-2-enoxyprop-1-ene?
The InChIKey is XXIIAYYTMCLLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H9N/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2-4H2,1H3.
What are the key properties of propan-1-amine;3-prop-2-enoxyprop-1-ene?
propan-1-amine;3-prop-2-enoxyprop-1-ene has a molecular weight of 157.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 88606342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).