decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride

C19H42ClNO — CID 10640566

IUPACdecyl-dimethyl-(2-methylpentoxymethyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)COCC(C)CCC.[Cl-]
InChIInChI=1S/C19H42NO.ClH/c1-6-8-9-10-11-12-13-14-16-20(4,5)18-21-17-19(3)15-7-2;/h19H,6-18H2,1-5H3;1H/q+1;/p-1
InChIKeyKUKCYRRMOYGMMW-UHFFFAOYSA-M
MW336.00 g/mol
LogP2.62
Rot. Bonds15

About decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride

decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride (PubChem CID 10640566) has the molecular formula C19H42ClNO and a molecular weight of 336.00 g/mol. Its IUPAC name is decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride.

Molecular Properties

Compound Namedecyl-dimethyl-(2-methylpentoxymethyl)azanium chloride
PubChem CID10640566
Molecular FormulaC19H42ClNO
Molecular Weight336.00 g/mol
Exact Mass335.30
IUPAC Namedecyl-dimethyl-(2-methylpentoxymethyl)azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)COCC(C)CCC.[Cl-]
InChIInChI=1S/C19H42NO.ClH/c1-6-8-9-10-11-12-13-14-16-20(4,5)18-21-17-19(3)15-7-2;/h19H,6-18H2,1-5H3;1H/q+1;/p-1
InChIKeyKUKCYRRMOYGMMW-UHFFFAOYSA-M
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-(2-ethylpentoxymethyl)-dimethylazanium chloride
CID 10833478
decyl-(2-ethylbutoxymethyl)-dimethylazanium
CID 10544800
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
butoxymethyl-decyl-dimethylazanium
CID 10494975
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-hexyl-dimethylazanium chloride
CID 19369138
decyl-dimethyl-nonylazanium chloride
CID 23185420
dimethyl-bis(2-methyltetradecyl)azanium chloride
CID 18681297
(4R)-4-methyldecane
CID 57191620

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride?
The IUPAC name of decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride (CID 10640566) is decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride.
What is the SMILES notation for decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride?
The canonical SMILES for decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride is CCCCCCCCCC[N+](C)(C)COCC(C)CCC.[Cl-].
What is the InChIKey of decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride?
The InChIKey is KUKCYRRMOYGMMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42NO.ClH/c1-6-8-9-10-11-12-13-14-16-20(4,5)18-21-17-19(3)15-7-2;/h19H,6-18H2,1-5H3;1H/q+1;/p-1.
What are the key properties of decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride?
decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride has a molecular weight of 336.00 g/mol, XLogP of 2.62, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride is sourced from PubChem (CID 10640566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).