2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine

C16H24ClN — CID 107186199

IUPAC2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)C1CCCCC1(C)C
InChIInChI=1S/C16H24ClN/c1-12-7-6-10-18-15(12)11-14(17)13-8-4-5-9-16(13,2)3/h6-7,10,13-14H,4-5,8-9,11H2,1-3H3
InChIKeyVLZAPSXCORNIRB-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.76
Rot. Bonds3

About 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine

2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine (PubChem CID 107186199) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
PubChem CID107186199
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)C1CCCCC1(C)C
InChIInChI=1S/C16H24ClN/c1-12-7-6-10-18-15(12)11-14(17)13-8-4-5-9-16(13,2)3/h6-7,10,13-14H,4-5,8-9,11H2,1-3H3
InChIKeyVLZAPSXCORNIRB-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
CID 107183554
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
CID 107186225
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
2-[2-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]-3-methylpyridine
CID 66459996

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine (CID 107186199) is 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)C1CCCCC1(C)C.
What is the InChIKey of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine?
The InChIKey is VLZAPSXCORNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-7-6-10-18-15(12)11-14(17)13-8-4-5-9-16(13,2)3/h6-7,10,13-14H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine has a molecular weight of 265.83 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 107186199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).