octadecan-1-amine;oxido(propyl)azanium

C21H48N2O — CID 174613083

IUPACoctadecan-1-amine;oxido(propyl)azanium
SMILESCCCCCCCCCCCCCCCCCCN.CCC[NH2+][O-]
InChIInChI=1S/C18H39N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5/h2-19H2,1H3;2-4H2,1H3
InChIKeyCWEAPADUUXFOKO-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.66
Rot. Bonds18

About octadecan-1-amine;oxido(propyl)azanium

octadecan-1-amine;oxido(propyl)azanium (PubChem CID 174613083) has the molecular formula C21H48N2O and a molecular weight of 344.63 g/mol. Its IUPAC name is octadecan-1-amine;oxido(propyl)azanium.

Molecular Properties

Compound Nameoctadecan-1-amine;oxido(propyl)azanium
PubChem CID174613083
Molecular FormulaC21H48N2O
Molecular Weight344.63 g/mol
Exact Mass344.38
IUPAC Nameoctadecan-1-amine;oxido(propyl)azanium
SMILESCCCCCCCCCCCCCCCCCCN.CCC[NH2+][O-]
InChIInChI=1S/C18H39N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5/h2-19H2,1H3;2-4H2,1H3
InChIKeyCWEAPADUUXFOKO-UHFFFAOYSA-N
XLogP5.66
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.66
H-Bond Donors ≤ 52
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

ethanolate;hexan-1-amine;niobium(5+)
CID 173298093
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
dotriacontyl(oxido)azanium
CID 141095067
hexan-1-amine;dihydrate
CID 174459608
methanamine;tridecan-1-amine
CID 22649914
octadecan-1-amine;hydrate
CID 158026408
hexadecan-1-amine;hydroiodide
CID 173125534
octadecan-1-amine;trihydrochloride
CID 175177898

Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;oxido(propyl)azanium?
The IUPAC name of octadecan-1-amine;oxido(propyl)azanium (CID 174613083) is octadecan-1-amine;oxido(propyl)azanium.
What is the SMILES notation for octadecan-1-amine;oxido(propyl)azanium?
The canonical SMILES for octadecan-1-amine;oxido(propyl)azanium is CCCCCCCCCCCCCCCCCCN.CCC[NH2+][O-].
What is the InChIKey of octadecan-1-amine;oxido(propyl)azanium?
The InChIKey is CWEAPADUUXFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5/h2-19H2,1H3;2-4H2,1H3.
What are the key properties of octadecan-1-amine;oxido(propyl)azanium?
octadecan-1-amine;oxido(propyl)azanium has a molecular weight of 344.63 g/mol, XLogP of 5.66, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;oxido(propyl)azanium is sourced from PubChem (CID 174613083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).