3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

C12H17N — CID 12764659

IUPAC3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
SMILESCc1ncc2c(c1C)CCCCC2
InChIInChI=1S/C12H17N/c1-9-10(2)13-8-11-6-4-3-5-7-12(9)11/h8H,3-7H2,1-2H3
InChIKeyBKOBJEYOCNHSRK-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.97
Rot. Bonds

About 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine (PubChem CID 12764659) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
PubChem CID12764659
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
SMILESCc1ncc2c(c1C)CCCCC2
InChIInChI=1S/C12H17N/c1-9-10(2)13-8-11-6-4-3-5-7-12(9)11/h8H,3-7H2,1-2H3
InChIKeyBKOBJEYOCNHSRK-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The IUPAC name of 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine (CID 12764659) is 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine.
What is the SMILES notation for 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The canonical SMILES for 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine is Cc1ncc2c(c1C)CCCCC2.
What is the InChIKey of 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
The InChIKey is BKOBJEYOCNHSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-10(2)13-8-11-6-4-3-5-7-12(9)11/h8H,3-7H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine?
3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine has a molecular weight of 175.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine is sourced from PubChem (CID 12764659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).