N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide

C7H18N2O — CID 158102297

IUPACN-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide
SMILESCC[N+](C)([O-])CCCNC
InChIInChI=1S/C7H18N2O/c1-4-9(3,10)7-5-6-8-2/h8H,4-7H2,1-3H3
InChIKeyFPKKLBIJSPLTGV-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.56
Rot. Bonds5

About N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide

N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide (PubChem CID 158102297) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide
PubChem CID158102297
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide
SMILESCC[N+](C)([O-])CCCNC
InChIInChI=1S/C7H18N2O/c1-4-9(3,10)7-5-6-8-2/h8H,4-7H2,1-3H3
InChIKeyFPKKLBIJSPLTGV-UHFFFAOYSA-N
XLogP0.56
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylbutan-1-amine
CID 8068
3-(2-ethoxy-4-methyl-1,3,2-dioxaphosphetan-4-yl)propyl-dimethyl-[3-(methylamino)propyl]azanium
CID 67593642
N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
CID 175550405
2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
CID 146290768
[3-[dimethyl-[3-(methylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 134449723
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
N-methyltriacontan-1-amine
CID 19840895
ethane;N-methylbutan-1-amine;propane
CID 142092371
N,N-dimethyl-2-[4-[3-(methylamino)propylamino]-4-oxobutyl]sulfanylethanamine oxide
CID 145262265
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide?
The IUPAC name of N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide (CID 158102297) is N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide.
What is the SMILES notation for N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide?
The canonical SMILES for N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide is CC[N+](C)([O-])CCCNC.
What is the InChIKey of N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide?
The InChIKey is FPKKLBIJSPLTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-4-9(3,10)7-5-6-8-2/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide?
N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide has a molecular weight of 146.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide is sourced from PubChem (CID 158102297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).