8-methyl-N-propylnonan-1-amine oxide

C13H29NO — CID 140968134

IUPAC8-methyl-N-propylnonan-1-amine oxide
SMILESCCC[NH+]([O-])CCCCCCCC(C)C
InChIInChI=1S/C13H29NO/c1-4-11-14(15)12-9-7-5-6-8-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBSWZVYWHBUMCHJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.78
Rot. Bonds10

About 8-methyl-N-propylnonan-1-amine oxide

8-methyl-N-propylnonan-1-amine oxide (PubChem CID 140968134) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 8-methyl-N-propylnonan-1-amine oxide.

Molecular Properties

Compound Name8-methyl-N-propylnonan-1-amine oxide
PubChem CID140968134
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name8-methyl-N-propylnonan-1-amine oxide
SMILESCCC[NH+]([O-])CCCCCCCC(C)C
InChIInChI=1S/C13H29NO/c1-4-11-14(15)12-9-7-5-6-8-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBSWZVYWHBUMCHJ-UHFFFAOYSA-N
XLogP2.78
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.78
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
dodecane;N-propylpropan-1-amine oxide
CID 174371620
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2-methyltricosane;hydrate
CID 172783998
alumane;2-methyldecane
CID 174844655
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propylnonan-1-amine oxide?
The IUPAC name of 8-methyl-N-propylnonan-1-amine oxide (CID 140968134) is 8-methyl-N-propylnonan-1-amine oxide.
What is the SMILES notation for 8-methyl-N-propylnonan-1-amine oxide?
The canonical SMILES for 8-methyl-N-propylnonan-1-amine oxide is CCC[NH+]([O-])CCCCCCCC(C)C.
What is the InChIKey of 8-methyl-N-propylnonan-1-amine oxide?
The InChIKey is BSWZVYWHBUMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-11-14(15)12-9-7-5-6-8-10-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 8-methyl-N-propylnonan-1-amine oxide?
8-methyl-N-propylnonan-1-amine oxide has a molecular weight of 215.38 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propylnonan-1-amine oxide is sourced from PubChem (CID 140968134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).