2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine

C13H17N — CID 123783439

IUPAC2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine
SMILESCC1=NC2=C(C=CC(C)(C)C=C2)CC1
InChIInChI=1S/C13H17N/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10/h6-9H,4-5H2,1-3H3
InChIKeySXEOYMXJAKISBD-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.65
Rot. Bonds

About 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine

2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine (PubChem CID 123783439) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine
PubChem CID123783439
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine
SMILESCC1=NC2=C(C=CC(C)(C)C=C2)CC1
InChIInChI=1S/C13H17N/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10/h6-9H,4-5H2,1-3H3
InChIKeySXEOYMXJAKISBD-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine
CID 154519181
2-methyl-4,5-dihydro-3H-indole
CID 59759818
9,10-Dihydrodibenz[b,f]azepine
CID 69591429
2-Hexylideneindole
CID 87404983
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
N-[(4E)-2-methylhexa-2,4-dien-3-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89441658
(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
CID 91090148
N-(5-ethyl-5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)heptan-2-imine
CID 91372726
N-[(3Z)-5,6-dimethylideneocta-1,3,7-trien-2-yl]butan-2-imine
CID 123374748
N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine
CID 123385474
N-(6-methylcyclohexa-1,5-dien-1-yl)butan-2-imine
CID 123462908
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
CID 123493065

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine?
The IUPAC name of 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine (CID 123783439) is 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine.
What is the SMILES notation for 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine?
The canonical SMILES for 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine is CC1=NC2=C(C=CC(C)(C)C=C2)CC1.
What is the InChIKey of 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine?
The InChIKey is SXEOYMXJAKISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-4-5-11-6-8-13(2,3)9-7-12(11)14-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine?
2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-3,4-dihydrocyclohepta[b]pyridine is sourced from PubChem (CID 123783439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).