7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine

C12H23N — CID 143671086

IUPAC7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCC1(C)CCC2CCCNC2CC1
InChIInChI=1S/C12H23N/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyCYZSSJUUTMMJQV-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds

About 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine

7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine (PubChem CID 143671086) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
PubChem CID143671086
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCC1(C)CCC2CCCNC2CC1
InChIInChI=1S/C12H23N/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyCYZSSJUUTMMJQV-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine with MolForge

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Related Compounds

2-cyclopentylpyrrolidine
CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
2-cyclodecylazecane
CID 126739440
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cycloheptylpiperidine;hydrochloride
CID 115030388
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine
CID 117045688
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine?
The IUPAC name of 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine (CID 143671086) is 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine.
What is the SMILES notation for 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine?
The canonical SMILES for 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine is CC1(C)CCC2CCCNC2CC1.
What is the InChIKey of 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine?
The InChIKey is CYZSSJUUTMMJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine?
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine is sourced from PubChem (CID 143671086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).