18-methyl-N-oxidononadec-9-en-1-amine

C20H40NO- — CID 173000283

IUPAC18-methyl-N-oxidononadec-9-en-1-amine
SMILESCC(C)CCCCCCCC=CCCCCCCCCN[O-]
InChIInChI=1S/C20H40NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20-21H,5-19H2,1-2H3/q-1
InChIKeyXKXMKMUAZXAEDF-UHFFFAOYSA-N
MW310.55 g/mol
LogP6.75
Rot. Bonds17

About 18-methyl-N-oxidononadec-9-en-1-amine

18-methyl-N-oxidononadec-9-en-1-amine (PubChem CID 173000283) has the molecular formula C20H40NO- and a molecular weight of 310.55 g/mol. Its IUPAC name is 18-methyl-N-oxidononadec-9-en-1-amine.

Molecular Properties

Compound Name18-methyl-N-oxidononadec-9-en-1-amine
PubChem CID173000283
Molecular FormulaC20H40NO-
Molecular Weight310.55 g/mol
Exact Mass310.31
IUPAC Name18-methyl-N-oxidononadec-9-en-1-amine
SMILESCC(C)CCCCCCCC=CCCCCCCCCN[O-]
InChIInChI=1S/C20H40NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20-21H,5-19H2,1-2H3/q-1
InChIKeyXKXMKMUAZXAEDF-UHFFFAOYSA-N
XLogP6.75
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-oxidononan-1-amine
CID 170430879
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-2,11-dimethyldodec-5-ene
CID 168834978
2,13-dimethyltetradec-4-ene
CID 139930710
10-methylundec-3-ene
CID 544769
(E)-2-methylheptadec-7-ene
CID 173124832

Frequently Asked Questions

What is the IUPAC name of 18-methyl-N-oxidononadec-9-en-1-amine?
The IUPAC name of 18-methyl-N-oxidononadec-9-en-1-amine (CID 173000283) is 18-methyl-N-oxidononadec-9-en-1-amine.
What is the SMILES notation for 18-methyl-N-oxidononadec-9-en-1-amine?
The canonical SMILES for 18-methyl-N-oxidononadec-9-en-1-amine is CC(C)CCCCCCCC=CCCCCCCCCN[O-].
What is the InChIKey of 18-methyl-N-oxidononadec-9-en-1-amine?
The InChIKey is XKXMKMUAZXAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20-21H,5-19H2,1-2H3/q-1.
What are the key properties of 18-methyl-N-oxidononadec-9-en-1-amine?
18-methyl-N-oxidononadec-9-en-1-amine has a molecular weight of 310.55 g/mol, XLogP of 6.75, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-N-oxidononadec-9-en-1-amine is sourced from PubChem (CID 173000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).