4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine

C14H19N — CID 166120455

IUPAC4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine
SMILESCC1(C)C=CC=C2NC=CC(C)(C)C2=C1
InChIInChI=1S/C14H19N/c1-13(2)7-5-6-12-11(10-13)14(3,4)8-9-15-12/h5-10,15H,1-4H3
InChIKeyHBARENOKSZVGJO-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.54
Rot. Bonds

About 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine

4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine (PubChem CID 166120455) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine
PubChem CID166120455
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine
SMILESCC1(C)C=CC=C2NC=CC(C)(C)C2=C1
InChIInChI=1S/C14H19N/c1-13(2)7-5-6-12-11(10-13)14(3,4)8-9-15-12/h5-10,15H,1-4H3
InChIKeyHBARENOKSZVGJO-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-3,7,7-trimethylcyclohepta-1,3,5-triene
CID 171540710
8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
CID 143347512
2,5,5-trimethylcyclohepta[c]pyrrole-1,3-dione
CID 129274969
6,6-dimethyl-3,4-dihydrocyclohepta[c][1,2,5]oxathiazine
CID 143335363
3-chloro-5,5-dimethyl-1H-azepin-2-one
CID 170556905
N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide
CID 143335320
8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
CID 170194792
(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 140580358
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 178082899
5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
CID 166077226
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[c]pyridine-1-thione
CID 143253436
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine?
The IUPAC name of 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine (CID 166120455) is 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine?
The canonical SMILES for 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine is CC1(C)C=CC=C2NC=CC(C)(C)C2=C1.
What is the InChIKey of 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine?
The InChIKey is HBARENOKSZVGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-13(2)7-5-6-12-11(10-13)14(3,4)8-9-15-12/h5-10,15H,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine?
4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 166120455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).