N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride

C6H13ClN2O — CID 174945611

IUPACN-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride
SMILESC=CCNONCC=C.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-5-7-9-8-6-4-2;/h3-4,7-8H,1-2,5-6H2;1H
InChIKeyAZVHLQWKCLXZDJ-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.81
Rot. Bonds6

About N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride

N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride (PubChem CID 174945611) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride
PubChem CID174945611
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC NameN-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride
SMILESC=CCNONCC=C.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-5-7-9-8-6-4-2;/h3-4,7-8H,1-2,5-6H2;1H
InChIKeyAZVHLQWKCLXZDJ-UHFFFAOYSA-N
XLogP0.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
bis(prop-2-enylamino) hydrogen phosphate
CID 88835074
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine
CID 14438303
N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine
CID 174292375
iron;N-methylprop-2-en-1-amine
CID 175581190
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
prop-2-enoxymethylsilane
CID 123621119
N-fluoroprop-2-en-1-amine;hydroiodide
CID 173029959
N-(prop-2-enylamino)silylprop-2-en-1-amine
CID 173002807
N-prop-2-enylhydroxylamine;hydrate
CID 173055199

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride (CID 174945611) is N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride is C=CCNONCC=C.Cl.
What is the InChIKey of N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride?
The InChIKey is AZVHLQWKCLXZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-3-5-7-9-8-6-4-2;/h3-4,7-8H,1-2,5-6H2;1H.
What are the key properties of N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride?
N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 174945611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).