azane;3-methylhenicosan-3-ol;hydrochloride

C22H50ClNO — CID 173459542

IUPACazane;3-methylhenicosan-3-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(C)(O)CC.Cl.N
InChIInChI=1S/C22H46O.ClH.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3,23)5-2;;/h23H,4-21H2,1-3H3;1H;1H3
InChIKeyFLZPCZSZIYIEDY-UHFFFAOYSA-N
MW380.10 g/mol
LogP8.38
Rot. Bonds18

About azane;3-methylhenicosan-3-ol;hydrochloride

azane;3-methylhenicosan-3-ol;hydrochloride (PubChem CID 173459542) has the molecular formula C22H50ClNO and a molecular weight of 380.10 g/mol. Its IUPAC name is azane;3-methylhenicosan-3-ol;hydrochloride.

Molecular Properties

Compound Nameazane;3-methylhenicosan-3-ol;hydrochloride
PubChem CID173459542
Molecular FormulaC22H50ClNO
Molecular Weight380.10 g/mol
Exact Mass379.36
IUPAC Nameazane;3-methylhenicosan-3-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(C)(O)CC.Cl.N
InChIInChI=1S/C22H46O.ClH.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3,23)5-2;;/h23H,4-21H2,1-3H3;1H;1H3
InChIKeyFLZPCZSZIYIEDY-UHFFFAOYSA-N
XLogP8.38
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.10
LogP ≤ 58.38
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

13-methylheptacosan-13-ol
CID 87343529
sodium;hydride;3-methylheptan-3-ol
CID 175497399
4,7-dimethylpentadecane-4,7-diol
CID 89335583
2,5-dimethyloctadecane-2,5-diol
CID 90439837
hydroxy(oxo)titanium;3-methylheptan-3-ol
CID 87558303
3-methyl-1-sulfanylnonan-3-ol
CID 142712851
2-methyldodecan-2-ol
CID 547702
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
9-ethylheptadecan-9-ol
CID 86166082
nonane-3,3-diol
CID 22472104
1-(tert-butylamino)-2-methylnonan-2-ol
CID 62774519
4-methyldec-1-yn-4-ol
CID 12573338

Frequently Asked Questions

What is the IUPAC name of azane;3-methylhenicosan-3-ol;hydrochloride?
The IUPAC name of azane;3-methylhenicosan-3-ol;hydrochloride (CID 173459542) is azane;3-methylhenicosan-3-ol;hydrochloride.
What is the SMILES notation for azane;3-methylhenicosan-3-ol;hydrochloride?
The canonical SMILES for azane;3-methylhenicosan-3-ol;hydrochloride is CCCCCCCCCCCCCCCCCCC(C)(O)CC.Cl.N.
What is the InChIKey of azane;3-methylhenicosan-3-ol;hydrochloride?
The InChIKey is FLZPCZSZIYIEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O.ClH.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3,23)5-2;;/h23H,4-21H2,1-3H3;1H;1H3.
What are the key properties of azane;3-methylhenicosan-3-ol;hydrochloride?
azane;3-methylhenicosan-3-ol;hydrochloride has a molecular weight of 380.10 g/mol, XLogP of 8.38, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methylhenicosan-3-ol;hydrochloride is sourced from PubChem (CID 173459542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).