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

C11H21N — CID 130417829

IUPAC2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
SMILESCN1CCC2CCCCCC2C1
InChIInChI=1S/C11H21N/c1-12-8-7-10-5-3-2-4-6-11(10)9-12/h10-11H,2-9H2,1H3
InChIKeyLPHNTAUDBPHCLK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds

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

2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine (PubChem CID 130417829) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
PubChem CID130417829
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
SMILESCN1CCC2CCCCCC2C1
InChIInChI=1S/C11H21N/c1-12-8-7-10-5-3-2-4-6-11(10)9-12/h10-11H,2-9H2,1H3
InChIKeyLPHNTAUDBPHCLK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine with MolForge

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Related Compounds

(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
3-methyl-3-azabicyclo[10.1.0]tridecane
CID 91079408
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine?
The IUPAC name of 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine (CID 130417829) is 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine.
What is the SMILES notation for 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine?
The canonical SMILES for 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine is CN1CCC2CCCCCC2C1.
What is the InChIKey of 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine?
The InChIKey is LPHNTAUDBPHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-12-8-7-10-5-3-2-4-6-11(10)9-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine?
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine is sourced from PubChem (CID 130417829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).