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

C11H21N — CID 18711517

IUPAC1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCN1CCCC2CCCCCC21
InChIInChI=1S/C11H21N/c1-12-9-5-7-10-6-3-2-4-8-11(10)12/h10-11H,2-9H2,1H3
InChIKeyKBIYXUURQYDSLR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

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

1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine (PubChem CID 18711517) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
PubChem CID18711517
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCN1CCCC2CCCCCC21
InChIInChI=1S/C11H21N/c1-12-9-5-7-10-6-3-2-4-8-11(10)12/h10-11H,2-9H2,1H3
InChIKeyKBIYXUURQYDSLR-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The IUPAC name of 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine (CID 18711517) is 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine.
What is the SMILES notation for 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The canonical SMILES for 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine is CN1CCCC2CCCCCC21.
What is the InChIKey of 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The InChIKey is KBIYXUURQYDSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-12-9-5-7-10-6-3-2-4-8-11(10)12/h10-11H,2-9H2,1H3.
What are the key properties of 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine is sourced from PubChem (CID 18711517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).