ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C13H21N — CID 169136046

IUPACethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.Cc1nc(C)c2c(c1C)CCC2
InChIInChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyYRAKZBLCSBRAKI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.52
Rot. Bonds

About ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 169136046) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Nameethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID169136046
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.Cc1nc(C)c2c(c1C)CCC2
InChIInChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyYRAKZBLCSBRAKI-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 176758527
ethane;propane;4,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 142502907
4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
CID 23057759
(Z)-2,3,4-trimethyl-N-[[(Z)-(2,3,4-trimethyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxymethoxy]-6,7-dihydro-5H-quinolin-8-imine;bis((Z)-2,3,4-trimethyl-N-[[(E)-(2,3,4-trimethyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxymethoxy]-6,7-dihydro-5H-quinolin-8-imine);(E)-2,3,4-trimethyl-N-[[(E)-(2,3,4-trimethyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxymethoxy]-6,7-dihydro-5H-quinolin-8-imine
CID 157260568
8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 122480741
1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 58719909
1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 57259792
ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline
CID 145341641
tris(2,3,4,5,6-pentamethylpyridine);tris(2,4,5,6-tetramethylpyrimidine)
CID 157180275
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine
CID 96619332
3-chloro-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid
CID 96603656

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 169136046) is ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CC.Cc1nc(C)c2c(c1C)CCC2.
What is the InChIKey of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is YRAKZBLCSBRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 169136046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).