N-ethyl-N-methylpropan-1-amine oxide

C6H15NO — CID 102278866

IUPACN-ethyl-N-methylpropan-1-amine oxide
SMILESCCC[N@+](C)([O-])CC
InChIInChI=1S/C6H15NO/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3/t7-/m1/s1
InChIKeyMQBZTLYRCQSJCU-SSDOTTSWSA-N
MW117.19 g/mol
LogP1.36
Rot. Bonds3

About N-ethyl-N-methylpropan-1-amine oxide

N-ethyl-N-methylpropan-1-amine oxide (PubChem CID 102278866) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N-ethyl-N-methylpropan-1-amine oxide.

Molecular Properties

Compound NameN-ethyl-N-methylpropan-1-amine oxide
PubChem CID102278866
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN-ethyl-N-methylpropan-1-amine oxide
SMILESCCC[N@+](C)([O-])CC
InChIInChI=1S/C6H15NO/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3/t7-/m1/s1
InChIKeyMQBZTLYRCQSJCU-SSDOTTSWSA-N
XLogP1.36
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide
CID 158102297
N-ethoxy-N-methylpropan-1-amine oxide
CID 175077084
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
CID 175550405
dimethyl(dipropyl)azanium chloride
CID 19774441
N,N,N',N'-tetraethylethane-1,2-diamine oxide
CID 20535654
triethyl(propyl)azanium perchlorate
CID 71332093
methanidyl-dimethyl-propylazanium
CID 157375220
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
O-ethylhydroxylamine;trimethyl(propyl)azanium
CID 162168540
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylpropan-1-amine oxide?
The IUPAC name of N-ethyl-N-methylpropan-1-amine oxide (CID 102278866) is N-ethyl-N-methylpropan-1-amine oxide.
What is the SMILES notation for N-ethyl-N-methylpropan-1-amine oxide?
The canonical SMILES for N-ethyl-N-methylpropan-1-amine oxide is CCC[N@+](C)([O-])CC.
What is the InChIKey of N-ethyl-N-methylpropan-1-amine oxide?
The InChIKey is MQBZTLYRCQSJCU-SSDOTTSWSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of N-ethyl-N-methylpropan-1-amine oxide?
N-ethyl-N-methylpropan-1-amine oxide has a molecular weight of 117.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylpropan-1-amine oxide is sourced from PubChem (CID 102278866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).