3-cycloheptyl-4-methylpyridine

C13H19N — CID 146408954

IUPAC3-cycloheptyl-4-methylpyridine
SMILESCc1ccncc1C1CCCCCC1
InChIInChI=1S/C13H19N/c1-11-8-9-14-10-13(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyTVMHQBIMUYEHKL-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.83
Rot. Bonds1

About 3-cycloheptyl-4-methylpyridine

3-cycloheptyl-4-methylpyridine (PubChem CID 146408954) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-cycloheptyl-4-methylpyridine.

Molecular Properties

Compound Name3-cycloheptyl-4-methylpyridine
PubChem CID146408954
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-cycloheptyl-4-methylpyridine
SMILESCc1ccncc1C1CCCCCC1
InChIInChI=1S/C13H19N/c1-11-8-9-14-10-13(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyTVMHQBIMUYEHKL-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methyl-3-pyridinyl)cycloheptan-1-one
CID 66271472
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
3-methyl-4-(4-propan-2-ylcyclohexyl)pyridine
CID 59352030
4-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102539167
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
CID 178009109
4-cyclohexyl-6-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879025
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-methylpyridine?
The IUPAC name of 3-cycloheptyl-4-methylpyridine (CID 146408954) is 3-cycloheptyl-4-methylpyridine.
What is the SMILES notation for 3-cycloheptyl-4-methylpyridine?
The canonical SMILES for 3-cycloheptyl-4-methylpyridine is Cc1ccncc1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-4-methylpyridine?
The InChIKey is TVMHQBIMUYEHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-8-9-14-10-13(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 3-cycloheptyl-4-methylpyridine?
3-cycloheptyl-4-methylpyridine has a molecular weight of 189.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-methylpyridine is sourced from PubChem (CID 146408954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).