2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

C11H21N — CID 82413509

IUPAC2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESCC1CCC2CCCCCC2N1
InChIInChI=1S/C11H21N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h9-12H,2-8H2,1H3
InChIKeyWHUBOAGZRFXVKS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds

About 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (PubChem CID 82413509) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
PubChem CID82413509
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESCC1CCC2CCCCCC2N1
InChIInChI=1S/C11H21N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h9-12H,2-8H2,1H3
InChIKeyWHUBOAGZRFXVKS-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (CID 82413509) is 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is CC1CCC2CCCCCC2N1.
What is the InChIKey of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The InChIKey is WHUBOAGZRFXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h9-12H,2-8H2,1H3.
What are the key properties of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 82413509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).