methanamine;octadecan-2-ol;hydrochloride

C19H44ClNO — CID 173318083

IUPACmethanamine;octadecan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCC(C)O.CN.Cl
InChIInChI=1S/C18H38O.CH5N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;1-2;/h18-19H,3-17H2,1-2H3;2H2,1H3;1H
InChIKeyZWSORWQOVWLWMS-UHFFFAOYSA-N
MW338.02 g/mol
LogP6.24
Rot. Bonds15

About methanamine;octadecan-2-ol;hydrochloride

methanamine;octadecan-2-ol;hydrochloride (PubChem CID 173318083) has the molecular formula C19H44ClNO and a molecular weight of 338.02 g/mol. Its IUPAC name is methanamine;octadecan-2-ol;hydrochloride.

Molecular Properties

Compound Namemethanamine;octadecan-2-ol;hydrochloride
PubChem CID173318083
Molecular FormulaC19H44ClNO
Molecular Weight338.02 g/mol
Exact Mass337.31
IUPAC Namemethanamine;octadecan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCC(C)O.CN.Cl
InChIInChI=1S/C18H38O.CH5N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;1-2;/h18-19H,3-17H2,1-2H3;2H2,1H3;1H
InChIKeyZWSORWQOVWLWMS-UHFFFAOYSA-N
XLogP6.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.02
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549

Frequently Asked Questions

What is the IUPAC name of methanamine;octadecan-2-ol;hydrochloride?
The IUPAC name of methanamine;octadecan-2-ol;hydrochloride (CID 173318083) is methanamine;octadecan-2-ol;hydrochloride.
What is the SMILES notation for methanamine;octadecan-2-ol;hydrochloride?
The canonical SMILES for methanamine;octadecan-2-ol;hydrochloride is CCCCCCCCCCCCCCCCC(C)O.CN.Cl.
What is the InChIKey of methanamine;octadecan-2-ol;hydrochloride?
The InChIKey is ZWSORWQOVWLWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.CH5N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;1-2;/h18-19H,3-17H2,1-2H3;2H2,1H3;1H.
What are the key properties of methanamine;octadecan-2-ol;hydrochloride?
methanamine;octadecan-2-ol;hydrochloride has a molecular weight of 338.02 g/mol, XLogP of 6.24, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;octadecan-2-ol;hydrochloride is sourced from PubChem (CID 173318083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).