N-oxido-N-propyloctan-1-amine

C11H24NO- — CID 140996116

IUPACN-oxido-N-propyloctan-1-amine
SMILESCCCCCCCCN([O-])CCC
InChIInChI=1S/C11H24NO/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3/q-1
InChIKeyGCFPMFIDYKSHTI-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.56
Rot. Bonds9

About N-oxido-N-propyloctan-1-amine

N-oxido-N-propyloctan-1-amine (PubChem CID 140996116) has the molecular formula C11H24NO- and a molecular weight of 186.32 g/mol. Its IUPAC name is N-oxido-N-propyloctan-1-amine.

Molecular Properties

Compound NameN-oxido-N-propyloctan-1-amine
PubChem CID140996116
Molecular FormulaC11H24NO-
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC NameN-oxido-N-propyloctan-1-amine
SMILESCCCCCCCCN([O-])CCC
InChIInChI=1S/C11H24NO/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3/q-1
InChIKeyGCFPMFIDYKSHTI-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
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

N-methyl-N-oxidohexan-1-amine
CID 87985172
2-[hexyl(oxido)amino]ethane-1,1-diol
CID 139707310
N-oxido-N-(2-phenylethyl)icosan-1-amine
CID 122612786
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-propyloctan-1-amine?
The IUPAC name of N-oxido-N-propyloctan-1-amine (CID 140996116) is N-oxido-N-propyloctan-1-amine.
What is the SMILES notation for N-oxido-N-propyloctan-1-amine?
The canonical SMILES for N-oxido-N-propyloctan-1-amine is CCCCCCCCN([O-])CCC.
What is the InChIKey of N-oxido-N-propyloctan-1-amine?
The InChIKey is GCFPMFIDYKSHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3/q-1.
What are the key properties of N-oxido-N-propyloctan-1-amine?
N-oxido-N-propyloctan-1-amine has a molecular weight of 186.32 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-propyloctan-1-amine is sourced from PubChem (CID 140996116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).