azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride

C22H48ClNO — CID 175468906

IUPACazane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC1(C)OC1C.Cl.N
InChIInChI=1S/C22H44O.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23-22;;/h21H,4-20H2,1-3H3;1H;1H3
InChIKeyMQAZQNGRAUHQEZ-UHFFFAOYSA-N
MW378.09 g/mol
LogP8.40
Rot. Bonds17

About azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride

azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride (PubChem CID 175468906) has the molecular formula C22H48ClNO and a molecular weight of 378.09 g/mol. Its IUPAC name is azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride.

Molecular Properties

Compound Nameazane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
PubChem CID175468906
Molecular FormulaC22H48ClNO
Molecular Weight378.09 g/mol
Exact Mass377.34
IUPAC Nameazane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC1(C)OC1C.Cl.N
InChIInChI=1S/C22H44O.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23-22;;/h21H,4-20H2,1-3H3;1H;1H3
InChIKeyMQAZQNGRAUHQEZ-UHFFFAOYSA-N
XLogP8.40
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.09
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-ethyl-3-methyl-2-pentyloxirane
CID 154091449
azane;tritriacontane;hydrochloride
CID 174841743
2-butyl-3-chloro-2-methyloxirane
CID 141187882
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
3-butyl-3-methyloxirane-2-carbonitrile
CID 130786664
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
3-methyl-3-octyloxetane
CID 162658167
2-hexyl-2-propyloxirane
CID 139691135
ethyl 3-hexyl-3-methyloxirane-2-carboxylate
CID 14387201

Frequently Asked Questions

What is the IUPAC name of azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride?
The IUPAC name of azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride (CID 175468906) is azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride.
What is the SMILES notation for azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride?
The canonical SMILES for azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride is CCCCCCCCCCCCCCCCCCC1(C)OC1C.Cl.N.
What is the InChIKey of azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride?
The InChIKey is MQAZQNGRAUHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23-22;;/h21H,4-20H2,1-3H3;1H;1H3.
What are the key properties of azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride?
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride has a molecular weight of 378.09 g/mol, XLogP of 8.40, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride is sourced from PubChem (CID 175468906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).