N-methylmethanamine oxide;octadecan-1-amine

C20H46N2O — CID 174826833

IUPACN-methylmethanamine oxide;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.C[NH+](C)[O-]
InChIInChI=1S/C18H39N.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(2)4/h2-19H2,1H3;3H,1-2H3
InChIKeyLQBMXIZGQLTBME-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.84
Rot. Bonds16

About N-methylmethanamine oxide;octadecan-1-amine

N-methylmethanamine oxide;octadecan-1-amine (PubChem CID 174826833) has the molecular formula C20H46N2O and a molecular weight of 330.60 g/mol. Its IUPAC name is N-methylmethanamine oxide;octadecan-1-amine.

Molecular Properties

Compound NameN-methylmethanamine oxide;octadecan-1-amine
PubChem CID174826833
Molecular FormulaC20H46N2O
Molecular Weight330.60 g/mol
Exact Mass330.36
IUPAC NameN-methylmethanamine oxide;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.C[NH+](C)[O-]
InChIInChI=1S/C18H39N.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(2)4/h2-19H2,1H3;3H,1-2H3
InChIKeyLQBMXIZGQLTBME-UHFFFAOYSA-N
XLogP4.84
TPSA53.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
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'}

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;titanium
CID 174493472
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine oxide;octadecan-1-amine?
The IUPAC name of N-methylmethanamine oxide;octadecan-1-amine (CID 174826833) is N-methylmethanamine oxide;octadecan-1-amine.
What is the SMILES notation for N-methylmethanamine oxide;octadecan-1-amine?
The canonical SMILES for N-methylmethanamine oxide;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.C[NH+](C)[O-].
What is the InChIKey of N-methylmethanamine oxide;octadecan-1-amine?
The InChIKey is LQBMXIZGQLTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(2)4/h2-19H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine oxide;octadecan-1-amine?
N-methylmethanamine oxide;octadecan-1-amine has a molecular weight of 330.60 g/mol, XLogP of 4.84, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine oxide;octadecan-1-amine is sourced from PubChem (CID 174826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).