(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride

C8H14ClN — CID 141102824

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride
SMILESCC1C=CC=CC1(C)[NH3+].[Cl-]
InChIInChI=1S/C8H13N.ClH/c1-7-5-3-4-6-8(7,2)9;/h3-7H,9H2,1-2H3;1H
InChIKeyBHOAMISAQLBSJD-UHFFFAOYSA-N
MW159.66 g/mol
LogP-2.25
Rot. Bonds

About (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride

(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride (PubChem CID 141102824) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride
PubChem CID141102824
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride
SMILESCC1C=CC=CC1(C)[NH3+].[Cl-]
InChIInChI=1S/C8H13N.ClH/c1-7-5-3-4-6-8(7,2)9;/h3-7H,9H2,1-2H3;1H
InChIKeyBHOAMISAQLBSJD-UHFFFAOYSA-N
XLogP-2.25
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride (CID 141102824) is (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride is CC1C=CC=CC1(C)[NH3+].[Cl-].
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride?
The InChIKey is BHOAMISAQLBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.ClH/c1-7-5-3-4-6-8(7,2)9;/h3-7H,9H2,1-2H3;1H.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride?
(1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride has a molecular weight of 159.66 g/mol, XLogP of -2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl)azanium chloride is sourced from PubChem (CID 141102824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).