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

C7H14NO2- — CID 163799947

IUPACN-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine
SMILESC/C=C/OC(C)(C)N(C)[O-]
InChIInChI=1S/C7H14NO2/c1-5-6-10-7(2,3)8(4)9/h5-6H,1-4H3/q-1/b6-5+
InChIKeyFFOWUNHTZRGAKI-AATRIKPKSA-N
MW144.19 g/mol
LogP1.70
Rot. Bonds3

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

N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine (PubChem CID 163799947) has the molecular formula C7H14NO2- and a molecular weight of 144.19 g/mol. Its IUPAC name is N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine
PubChem CID163799947
Molecular FormulaC7H14NO2-
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC NameN-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine
SMILESC/C=C/OC(C)(C)N(C)[O-]
InChIInChI=1S/C7H14NO2/c1-5-6-10-7(2,3)8(4)9/h5-6H,1-4H3/q-1/b6-5+
InChIKeyFFOWUNHTZRGAKI-AATRIKPKSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2-[(E)-prop-1-enoxy]propan-2-amine oxide
CID 163799946
(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
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833
2-methoxy-N-methyl-N-[methyl(oxido)amino]oxypropan-2-amine
CID 163495645
(E)-N,N,2-trimethylpent-3-en-2-amine
CID 177230336
(Z)-N,N,2-trimethylpent-3-en-2-amine
CID 154549060
4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline
CID 66685870

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine?
The IUPAC name of N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine (CID 163799947) is N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine.
What is the SMILES notation for N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine?
The canonical SMILES for N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine is C/C=C/OC(C)(C)N(C)[O-].
What is the InChIKey of N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine?
The InChIKey is FFOWUNHTZRGAKI-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14NO2/c1-5-6-10-7(2,3)8(4)9/h5-6H,1-4H3/q-1/b6-5+.
What are the key properties of N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine?
N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine has a molecular weight of 144.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxido-2-[(E)-prop-1-enoxy]propan-2-amine is sourced from PubChem (CID 163799947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).