1-cyclononyl-N,N-dimethylmethanamine oxide

C12H25NO — CID 121011924

IUPAC1-cyclononyl-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])CC1CCCCCCCC1
InChIInChI=1S/C12H25NO/c1-13(2,14)11-12-9-7-5-3-4-6-8-10-12/h12H,3-11H2,1-2H3
InChIKeySCENMNMDHBDYPS-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.31
Rot. Bonds2

About 1-cyclononyl-N,N-dimethylmethanamine oxide

1-cyclononyl-N,N-dimethylmethanamine oxide (PubChem CID 121011924) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclononyl-N,N-dimethylmethanamine oxide.

Molecular Properties

Compound Name1-cyclononyl-N,N-dimethylmethanamine oxide
PubChem CID121011924
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclononyl-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])CC1CCCCCCCC1
InChIInChI=1S/C12H25NO/c1-13(2,14)11-12-9-7-5-3-4-6-8-10-12/h12H,3-11H2,1-2H3
InChIKeySCENMNMDHBDYPS-UHFFFAOYSA-N
XLogP3.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.31
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'}

Analyze 1-cyclononyl-N,N-dimethylmethanamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylmethyl(trimethyl)azanium hydroxide
CID 12533371
cyclohexylmethyl-dimethyl-sulfanylazanium
CID 143834523
cyclohexylmethyl(trimethyl)azanium fluoride
CID 25184933
cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
CID 154694779
cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
CID 162277252
1-(3,3-difluorocyclobutyl)-N,N-dimethylmethanamine oxide;hydrate
CID 86636558
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
cyclononylmethanethiol
CID 88545398
cyclopentadecylmethylcyclopentadecane
CID 91804599
lithium cyclohexylmethanolate
CID 175116860
cyclohexylmethanesulfinate
CID 57427117
ethylcyclooctane;fluoromethane
CID 174962953

Frequently Asked Questions

What is the IUPAC name of 1-cyclononyl-N,N-dimethylmethanamine oxide?
The IUPAC name of 1-cyclononyl-N,N-dimethylmethanamine oxide (CID 121011924) is 1-cyclononyl-N,N-dimethylmethanamine oxide.
What is the SMILES notation for 1-cyclononyl-N,N-dimethylmethanamine oxide?
The canonical SMILES for 1-cyclononyl-N,N-dimethylmethanamine oxide is C[N+](C)([O-])CC1CCCCCCCC1.
What is the InChIKey of 1-cyclononyl-N,N-dimethylmethanamine oxide?
The InChIKey is SCENMNMDHBDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-13(2,14)11-12-9-7-5-3-4-6-8-10-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-cyclononyl-N,N-dimethylmethanamine oxide?
1-cyclononyl-N,N-dimethylmethanamine oxide has a molecular weight of 199.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclononyl-N,N-dimethylmethanamine oxide is sourced from PubChem (CID 121011924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).