8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane

C14H23N — CID 143347512

IUPAC8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
SMILESCC.CC1(C)C=CC=C2CCCNC2=C1
InChIInChI=1S/C12H17N.C2H6/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12;1-2/h3,5,7,9,13H,4,6,8H2,1-2H3;1-2H3
InChIKeyPGSIWWAHNLYTIC-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.80
Rot. Bonds

About 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane

8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane (PubChem CID 143347512) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane.

Molecular Properties

Compound Name8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
PubChem CID143347512
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
SMILESCC.CC1(C)C=CC=C2CCCNC2=C1
InChIInChI=1S/C12H17N.C2H6/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12;1-2/h3,5,7,9,13H,4,6,8H2,1-2H3;1-2H3
InChIKeyPGSIWWAHNLYTIC-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8,8-dimethyl-3,4-dihydro-2H-cyclohepta[c]pyridine-1-thione
CID 143253436
6,6-dimethyl-3,4-dihydrocyclohepta[c][1,2,5]oxathiazine
CID 143335363
8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
CID 170194792
1,2,3,4,6,7-hexahydroquinoline;methane
CID 144640443
1-(5-methyl-2,3-dihydro-1H-azulen-5-yl)ethanone
CID 142234797
7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
CID 171502429
1,2,3,4,6,7-hexahydro-1,7-naphthyridine
CID 173071796
ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
CID 143640456
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene
CID 143140494
ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143335391
5,5-dimethylbicyclo[4.1.0]hepta-1,3-diene
CID 86733476

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane?
The IUPAC name of 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane (CID 143347512) is 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane.
What is the SMILES notation for 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane?
The canonical SMILES for 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane is CC.CC1(C)C=CC=C2CCCNC2=C1.
What is the InChIKey of 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane?
The InChIKey is PGSIWWAHNLYTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12;1-2/h3,5,7,9,13H,4,6,8H2,1-2H3;1-2H3.
What are the key properties of 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane?
8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane has a molecular weight of 205.34 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane is sourced from PubChem (CID 143347512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).