6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine

C12H17N — CID 138722223

IUPAC6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine
SMILESCC1(C)C=CC=C2CNCCC2=C1
InChIInChI=1S/C12H17N/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyRDGJXDXZVMFCSQ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.43
Rot. Bonds

About 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine

6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine (PubChem CID 138722223) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine
PubChem CID138722223
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine
SMILESCC1(C)C=CC=C2CNCCC2=C1
InChIInChI=1S/C12H17N/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyRDGJXDXZVMFCSQ-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine (CID 138722223) is 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine is CC1(C)C=CC=C2CNCCC2=C1.
What is the InChIKey of 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine?
The InChIKey is RDGJXDXZVMFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-4,6,8,13H,5,7,9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine?
6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine has a molecular weight of 175.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,2,3,4-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 138722223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).