trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride

C18H32ClN — CID 20563182

IUPACtrimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride
SMILESCC(C)Cc1ccc(C(CC(C)C)[N+](C)(C)C)cc1.[Cl-]
InChIInChI=1S/C18H32N.ClH/c1-14(2)12-16-8-10-17(11-9-16)18(13-15(3)4)19(5,6)7;/h8-11,14-15,18H,12-13H2,1-7H3;1H/q+1;/p-1
InChIKeyGVTSIMHKSHZIEU-UHFFFAOYSA-M
MW297.91 g/mol
LogP1.68
Rot. Bonds6

About trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride

trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride (PubChem CID 20563182) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride
PubChem CID20563182
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Nametrimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride
SMILESCC(C)Cc1ccc(C(CC(C)C)[N+](C)(C)C)cc1.[Cl-]
InChIInChI=1S/C18H32N.ClH/c1-14(2)12-16-8-10-17(11-9-16)18(13-15(3)4)19(5,6)7;/h8-11,14-15,18H,12-13H2,1-7H3;1H/q+1;/p-1
InChIKeyGVTSIMHKSHZIEU-UHFFFAOYSA-M
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride?
The IUPAC name of trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride (CID 20563182) is trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride?
The canonical SMILES for trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride is CC(C)Cc1ccc(C(CC(C)C)[N+](C)(C)C)cc1.[Cl-].
What is the InChIKey of trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride?
The InChIKey is GVTSIMHKSHZIEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H32N.ClH/c1-14(2)12-16-8-10-17(11-9-16)18(13-15(3)4)19(5,6)7;/h8-11,14-15,18H,12-13H2,1-7H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride?
trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride has a molecular weight of 297.91 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride is sourced from PubChem (CID 20563182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).