N-hex-3-enyl-N-methylhydroxylamine;hydrochloride

C7H16ClNO — CID 174500542

IUPACN-hex-3-enyl-N-methylhydroxylamine;hydrochloride
SMILESCCC=CCCN(C)O.Cl
InChIInChI=1S/C7H15NO.ClH/c1-3-4-5-6-7-8(2)9;/h4-5,9H,3,6-7H2,1-2H3;1H
InChIKeyJPQORGBEBUZIPK-UHFFFAOYSA-N
MW165.66 g/mol
LogP2.09
Rot. Bonds4

About N-hex-3-enyl-N-methylhydroxylamine;hydrochloride

N-hex-3-enyl-N-methylhydroxylamine;hydrochloride (PubChem CID 174500542) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is N-hex-3-enyl-N-methylhydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-hex-3-enyl-N-methylhydroxylamine;hydrochloride
PubChem CID174500542
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC NameN-hex-3-enyl-N-methylhydroxylamine;hydrochloride
SMILESCCC=CCCN(C)O.Cl
InChIInChI=1S/C7H15NO.ClH/c1-3-4-5-6-7-8(2)9;/h4-5,9H,3,6-7H2,1-2H3;1H
InChIKeyJPQORGBEBUZIPK-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(hex-3-enyl)amino]ethanol
CID 54039173
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
hex-3-ene;hydrochloride
CID 159012047
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(Z)-N,N,2-trimethyloct-5-enamide
CID 150696751
hept-4-enoic acid;hydrochloride
CID 143782457
(5Z)-N,N-dimethylocta-2,5-dien-3-amine
CID 118641876
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(Z)-hept-4-en-1-ol
CID 5367536
hex-3-ene;sulfane
CID 174453265

Frequently Asked Questions

What is the IUPAC name of N-hex-3-enyl-N-methylhydroxylamine;hydrochloride?
The IUPAC name of N-hex-3-enyl-N-methylhydroxylamine;hydrochloride (CID 174500542) is N-hex-3-enyl-N-methylhydroxylamine;hydrochloride.
What is the SMILES notation for N-hex-3-enyl-N-methylhydroxylamine;hydrochloride?
The canonical SMILES for N-hex-3-enyl-N-methylhydroxylamine;hydrochloride is CCC=CCCN(C)O.Cl.
What is the InChIKey of N-hex-3-enyl-N-methylhydroxylamine;hydrochloride?
The InChIKey is JPQORGBEBUZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-3-4-5-6-7-8(2)9;/h4-5,9H,3,6-7H2,1-2H3;1H.
What are the key properties of N-hex-3-enyl-N-methylhydroxylamine;hydrochloride?
N-hex-3-enyl-N-methylhydroxylamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-3-enyl-N-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 174500542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).