N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide

C7H15NO2 — CID 163799946

IUPACN-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide
SMILESC/C=C/OC(C)(C)[NH+](C)[O-]
InChIInChI=1S/C7H15NO2/c1-5-6-10-7(2,3)8(4)9/h5-6,8H,1-4H3/b6-5+
InChIKeyNECCIWSOMGMZPL-AATRIKPKSA-N
MW145.20 g/mol
LogP0.29
Rot. Bonds3

About N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide

N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide (PubChem CID 163799946) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide.

Molecular Properties

Compound NameN-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide
PubChem CID163799946
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide
SMILESC/C=C/OC(C)(C)[NH+](C)[O-]
InChIInChI=1S/C7H15NO2/c1-5-6-10-7(2,3)8(4)9/h5-6,8H,1-4H3/b6-5+
InChIKeyNECCIWSOMGMZPL-AATRIKPKSA-N
XLogP0.29
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine
CID 163799947
(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
CID 5463433
prop-1-enoxymethanetriol
CID 141049988
2-methyl-2-prop-1-enoxypropanoic acid
CID 141348598
3-methyl-3-[(Z)-prop-1-enoxy]butanal
CID 89353016
2-methoxyprop-1-ene;2-methyl-2-prop-1-enoxypropane
CID 155414756
prop-1-enylmercury
CID 154078455
but-2-ene;1-methoxyprop-1-ene
CID 91394801
2-methyl-3-prop-1-enoxybutan-2-ol
CID 123962171
prop-1-enoxycyclopropane
CID 68845032
O-prop-1-enylhydroxylamine;hydrochloride
CID 141490090
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide?
The IUPAC name of N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide (CID 163799946) is N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide.
What is the SMILES notation for N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide?
The canonical SMILES for N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide is C/C=C/OC(C)(C)[NH+](C)[O-].
What is the InChIKey of N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide?
The InChIKey is NECCIWSOMGMZPL-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-6-10-7(2,3)8(4)9/h5-6,8H,1-4H3/b6-5+.
What are the key properties of N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide?
N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide has a molecular weight of 145.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-prop-1-enoxy]propan-2-amine oxide is sourced from PubChem (CID 163799946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).