dodecane;N-propylpropan-1-amine oxide

C18H41NO — CID 174371620

IUPACdodecane;N-propylpropan-1-amine oxide
SMILESCCCCCCCCCCCC.CCC[NH+]([O-])CCC
InChIInChI=1S/C12H26.C6H15NO/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7(8)6-4-2/h3-12H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyDQYSCTXIWFNBHL-UHFFFAOYSA-N
MW287.53 g/mol
LogP5.12
Rot. Bonds13

About dodecane;N-propylpropan-1-amine oxide

dodecane;N-propylpropan-1-amine oxide (PubChem CID 174371620) has the molecular formula C18H41NO and a molecular weight of 287.53 g/mol. Its IUPAC name is dodecane;N-propylpropan-1-amine oxide.

Molecular Properties

Compound Namedodecane;N-propylpropan-1-amine oxide
PubChem CID174371620
Molecular FormulaC18H41NO
Molecular Weight287.53 g/mol
Exact Mass287.32
IUPAC Namedodecane;N-propylpropan-1-amine oxide
SMILESCCCCCCCCCCCC.CCC[NH+]([O-])CCC
InChIInChI=1S/C12H26.C6H15NO/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7(8)6-4-2/h3-12H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyDQYSCTXIWFNBHL-UHFFFAOYSA-N
XLogP5.12
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.53
LogP ≤ 55.12
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-propylpentadecan-1-amine oxide
CID 174870712
N-propyloctadecan-1-amine oxide
CID 87073468
N-dodecyldodecan-1-amine oxide
CID 22112105
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
CID 139805928
8-methyl-N-propylnonan-1-amine oxide
CID 140968134
iodomethane;octadecane
CID 174964097
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of dodecane;N-propylpropan-1-amine oxide?
The IUPAC name of dodecane;N-propylpropan-1-amine oxide (CID 174371620) is dodecane;N-propylpropan-1-amine oxide.
What is the SMILES notation for dodecane;N-propylpropan-1-amine oxide?
The canonical SMILES for dodecane;N-propylpropan-1-amine oxide is CCCCCCCCCCCC.CCC[NH+]([O-])CCC.
What is the InChIKey of dodecane;N-propylpropan-1-amine oxide?
The InChIKey is DQYSCTXIWFNBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C6H15NO/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7(8)6-4-2/h3-12H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of dodecane;N-propylpropan-1-amine oxide?
dodecane;N-propylpropan-1-amine oxide has a molecular weight of 287.53 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;N-propylpropan-1-amine oxide is sourced from PubChem (CID 174371620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).