18-methylnonadec-9-enyl(oxido)azanium

C20H41NO — CID 173000282

IUPAC18-methylnonadec-9-enyl(oxido)azanium
SMILESCC(C)CCCCCCCC=CCCCCCCCC[NH2+][O-]
InChIInChI=1S/C20H41NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20H,5-19,21H2,1-2H3
InChIKeyFUABTIGZXGXRJC-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.72
Rot. Bonds17

About 18-methylnonadec-9-enyl(oxido)azanium

18-methylnonadec-9-enyl(oxido)azanium (PubChem CID 173000282) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 18-methylnonadec-9-enyl(oxido)azanium.

Molecular Properties

Compound Name18-methylnonadec-9-enyl(oxido)azanium
PubChem CID173000282
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name18-methylnonadec-9-enyl(oxido)azanium
SMILESCC(C)CCCCCCCC=CCCCCCCCC[NH2+][O-]
InChIInChI=1S/C20H41NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20H,5-19,21H2,1-2H3
InChIKeyFUABTIGZXGXRJC-UHFFFAOYSA-N
XLogP5.72
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(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
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,12-dimethyltridec-6-ene
CID 176630963
docos-13-enyl(oxido)azanium
CID 173065325
(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-methylnonadec-9-enyl(oxido)azanium?
The IUPAC name of 18-methylnonadec-9-enyl(oxido)azanium (CID 173000282) is 18-methylnonadec-9-enyl(oxido)azanium.
What is the SMILES notation for 18-methylnonadec-9-enyl(oxido)azanium?
The canonical SMILES for 18-methylnonadec-9-enyl(oxido)azanium is CC(C)CCCCCCCC=CCCCCCCCC[NH2+][O-].
What is the InChIKey of 18-methylnonadec-9-enyl(oxido)azanium?
The InChIKey is FUABTIGZXGXRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-22/h3-4,20H,5-19,21H2,1-2H3.
What are the key properties of 18-methylnonadec-9-enyl(oxido)azanium?
18-methylnonadec-9-enyl(oxido)azanium has a molecular weight of 311.55 g/mol, XLogP of 5.72, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadec-9-enyl(oxido)azanium is sourced from PubChem (CID 173000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).