octadecan-1-amine;trihydrochloride

C18H42Cl3N — CID 175177898

IUPACoctadecan-1-amine;trihydrochloride
SMILESCCCCCCCCCCCCCCCCCCN.Cl.Cl.Cl
InChIInChI=1S/C18H39N.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-19H2,1H3;3*1H
InChIKeyGCIPRPSPVICELI-UHFFFAOYSA-N
MW378.90 g/mol
LogP7.47
Rot. Bonds16

About octadecan-1-amine;trihydrochloride

octadecan-1-amine;trihydrochloride (PubChem CID 175177898) has the molecular formula C18H42Cl3N and a molecular weight of 378.90 g/mol. Its IUPAC name is octadecan-1-amine;trihydrochloride.

Molecular Properties

Compound Nameoctadecan-1-amine;trihydrochloride
PubChem CID175177898
Molecular FormulaC18H42Cl3N
Molecular Weight378.90 g/mol
Exact Mass377.24
IUPAC Nameoctadecan-1-amine;trihydrochloride
SMILESCCCCCCCCCCCCCCCCCCN.Cl.Cl.Cl
InChIInChI=1S/C18H39N.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-19H2,1H3;3*1H
InChIKeyGCIPRPSPVICELI-UHFFFAOYSA-N
XLogP7.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decan-1-amine;dihydrochloride
CID 172731620
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
tripotassium;hydride;octadecan-1-amine;hydrochloride
CID 174410869
methanamine;tridecan-1-amine
CID 22649914
hexan-1-amine;dihydrate
CID 174459608
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
hexadecan-1-amine;hydroiodide
CID 173125534

Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;trihydrochloride?
The IUPAC name of octadecan-1-amine;trihydrochloride (CID 175177898) is octadecan-1-amine;trihydrochloride.
What is the SMILES notation for octadecan-1-amine;trihydrochloride?
The canonical SMILES for octadecan-1-amine;trihydrochloride is CCCCCCCCCCCCCCCCCCN.Cl.Cl.Cl.
What is the InChIKey of octadecan-1-amine;trihydrochloride?
The InChIKey is GCIPRPSPVICELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-19H2,1H3;3*1H.
What are the key properties of octadecan-1-amine;trihydrochloride?
octadecan-1-amine;trihydrochloride has a molecular weight of 378.90 g/mol, XLogP of 7.47, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;trihydrochloride is sourced from PubChem (CID 175177898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).