N-propylpentadecan-1-amine oxide

C18H39NO — CID 174870712

IUPACN-propylpentadecan-1-amine oxide
SMILESCCCCCCCCCCCCCCC[NH+]([O-])CCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19H,3-18H2,1-2H3
InChIKeyJXDFMCJYINOELN-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.87
Rot. Bonds16

About N-propylpentadecan-1-amine oxide

N-propylpentadecan-1-amine oxide (PubChem CID 174870712) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-propylpentadecan-1-amine oxide.

Molecular Properties

Compound NameN-propylpentadecan-1-amine oxide
PubChem CID174870712
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-propylpentadecan-1-amine oxide
SMILESCCCCCCCCCCCCCCC[NH+]([O-])CCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19H,3-18H2,1-2H3
InChIKeyJXDFMCJYINOELN-UHFFFAOYSA-N
XLogP4.87
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-propyloctadecan-1-amine oxide
CID 87073468
N-dodecyldodecan-1-amine oxide
CID 22112105
dodecane;N-propylpropan-1-amine oxide
CID 174371620
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
CID 139805928
8-methyl-N-propylnonan-1-amine oxide
CID 140968134
N-(2,2-dihydroxyethyl)hexacosan-1-amine oxide
CID 139792359
N-(2-phenylethyl)heptadecan-1-amine oxide
CID 122612686
N-(2-phenylethyl)undecan-1-amine oxide
CID 122613317
iodomethane;octadecane
CID 174964097
trioctylazanium hydroxide
CID 22253318
trihexylazanium bromide
CID 54105866
dibutyl(octadecyl)azanium
CID 18405855

Frequently Asked Questions

What is the IUPAC name of N-propylpentadecan-1-amine oxide?
The IUPAC name of N-propylpentadecan-1-amine oxide (CID 174870712) is N-propylpentadecan-1-amine oxide.
What is the SMILES notation for N-propylpentadecan-1-amine oxide?
The canonical SMILES for N-propylpentadecan-1-amine oxide is CCCCCCCCCCCCCCC[NH+]([O-])CCC.
What is the InChIKey of N-propylpentadecan-1-amine oxide?
The InChIKey is JXDFMCJYINOELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19H,3-18H2,1-2H3.
What are the key properties of N-propylpentadecan-1-amine oxide?
N-propylpentadecan-1-amine oxide has a molecular weight of 285.52 g/mol, XLogP of 4.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpentadecan-1-amine oxide is sourced from PubChem (CID 174870712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).