N-methyl-N-oxidohexan-1-amine

C7H16NO- — CID 87985172

IUPACN-methyl-N-oxidohexan-1-amine
SMILESCCCCCCN(C)[O-]
InChIInChI=1S/C7H16NO/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/q-1
InChIKeyQHIUMHMDUDEOGH-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-N-oxidohexan-1-amine

N-methyl-N-oxidohexan-1-amine (PubChem CID 87985172) has the molecular formula C7H16NO- and a molecular weight of 130.21 g/mol. Its IUPAC name is N-methyl-N-oxidohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-oxidohexan-1-amine
PubChem CID87985172
Molecular FormulaC7H16NO-
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC NameN-methyl-N-oxidohexan-1-amine
SMILESCCCCCCN(C)[O-]
InChIInChI=1S/C7H16NO/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/q-1
InChIKeyQHIUMHMDUDEOGH-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
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,N-dimethyloctan-1-amine
CID 161279104
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N,N-dimethylnonadecan-1-amine
CID 546994
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-oxido-N-propyloctan-1-amine
CID 140996116

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oxidohexan-1-amine?
The IUPAC name of N-methyl-N-oxidohexan-1-amine (CID 87985172) is N-methyl-N-oxidohexan-1-amine.
What is the SMILES notation for N-methyl-N-oxidohexan-1-amine?
The canonical SMILES for N-methyl-N-oxidohexan-1-amine is CCCCCCN(C)[O-].
What is the InChIKey of N-methyl-N-oxidohexan-1-amine?
The InChIKey is QHIUMHMDUDEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/q-1.
What are the key properties of N-methyl-N-oxidohexan-1-amine?
N-methyl-N-oxidohexan-1-amine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxidohexan-1-amine is sourced from PubChem (CID 87985172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).