8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane

C14H21N — CID 143601031

IUPAC8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane
SMILESCC.CC1=C(C)C2C=NC=CC2CC=C1
InChIInChI=1S/C12H15N.C2H6/c1-9-4-3-5-11-6-7-13-8-12(11)10(9)2;1-2/h3-4,6-8,11-12H,5H2,1-2H3;1-2H3
InChIKeyJIRSNUDFAQGDQD-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.14
Rot. Bonds

About 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane

8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane (PubChem CID 143601031) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane.

Molecular Properties

Compound Name8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane
PubChem CID143601031
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane
SMILESCC.CC1=C(C)C2C=NC=CC2CC=C1
InChIInChI=1S/C12H15N.C2H6/c1-9-4-3-5-11-6-7-13-8-12(11)10(9)2;1-2/h3-4,6-8,11-12H,5H2,1-2H3;1-2H3
InChIKeyJIRSNUDFAQGDQD-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane?
The IUPAC name of 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane (CID 143601031) is 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane.
What is the SMILES notation for 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane?
The canonical SMILES for 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane is CC.CC1=C(C)C2C=NC=CC2CC=C1.
What is the InChIKey of 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane?
The InChIKey is JIRSNUDFAQGDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-9-4-3-5-11-6-7-13-8-12(11)10(9)2;1-2/h3-4,6-8,11-12H,5H2,1-2H3;1-2H3.
What are the key properties of 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane?
8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane has a molecular weight of 203.33 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-5,9a-dihydro-4aH-cyclohepta[c]pyridine;ethane is sourced from PubChem (CID 143601031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).