(2-methylphenyl)-pentyl-dipropylazanium chloride

C18H32ClN — CID 70520938

IUPAC(2-methylphenyl)-pentyl-dipropylazanium chloride
SMILESCCCCC[N+](CCC)(CCC)c1ccccc1C.[Cl-]
InChIInChI=1S/C18H32N.ClH/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4;/h9-10,12-13H,5-8,11,14-16H2,1-4H3;1H/q+1;/p-1
InChIKeyMCIKVCRQATVGNM-UHFFFAOYSA-M
MW297.91 g/mol
LogP2.32
Rot. Bonds9

About (2-methylphenyl)-pentyl-dipropylazanium chloride

(2-methylphenyl)-pentyl-dipropylazanium chloride (PubChem CID 70520938) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is (2-methylphenyl)-pentyl-dipropylazanium chloride.

Molecular Properties

Compound Name(2-methylphenyl)-pentyl-dipropylazanium chloride
PubChem CID70520938
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Name(2-methylphenyl)-pentyl-dipropylazanium chloride
SMILESCCCCC[N+](CCC)(CCC)c1ccccc1C.[Cl-]
InChIInChI=1S/C18H32N.ClH/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4;/h9-10,12-13H,5-8,11,14-16H2,1-4H3;1H/q+1;/p-1
InChIKeyMCIKVCRQATVGNM-UHFFFAOYSA-M
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)-octadecyl-dipropylazanium hydroxide
CID 70584646
naphthalen-1-yl-pentyl-dipropylazanium hydroxide
CID 70584582
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
tetrabutylazanium;1,2-xylene
CID 69453766
diethyl-naphthalen-1-yl-octadecylazanium chloride
CID 70522078
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
dodecyl-diethyl-phenylazanium chloride
CID 70521087
dodecyl-hexadecyl-[2-(2-methylphenyl)butan-2-yl]-tetradecylazanium chloride
CID 88518363
didodecyl(dimethyl)azanium;toluene;bromide
CID 158932799
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
(2-methylphenyl)-dioctylphosphane
CID 70128590
hexane;1,2,3-trimethylbenzene
CID 159405289

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pentyl-dipropylazanium chloride?
The IUPAC name of (2-methylphenyl)-pentyl-dipropylazanium chloride (CID 70520938) is (2-methylphenyl)-pentyl-dipropylazanium chloride.
What is the SMILES notation for (2-methylphenyl)-pentyl-dipropylazanium chloride?
The canonical SMILES for (2-methylphenyl)-pentyl-dipropylazanium chloride is CCCCC[N+](CCC)(CCC)c1ccccc1C.[Cl-].
What is the InChIKey of (2-methylphenyl)-pentyl-dipropylazanium chloride?
The InChIKey is MCIKVCRQATVGNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H32N.ClH/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4;/h9-10,12-13H,5-8,11,14-16H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (2-methylphenyl)-pentyl-dipropylazanium chloride?
(2-methylphenyl)-pentyl-dipropylazanium chloride has a molecular weight of 297.91 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pentyl-dipropylazanium chloride is sourced from PubChem (CID 70520938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).