ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile

C15H22N2 — CID 177024346

IUPACethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESCC.Cc1nc2c(c(C)c1C#N)C(C)(C)CC2
InChIInChI=1S/C13H16N2.C2H6/c1-8-10(7-14)9(2)15-11-5-6-13(3,4)12(8)11;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyUJKGOUZGOSRGQB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.82
Rot. Bonds

About ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile

ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 177024346) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID177024346
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nameethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESCC.Cc1nc2c(c(C)c1C#N)C(C)(C)CC2
InChIInChI=1S/C13H16N2.C2H6/c1-8-10(7-14)9(2)15-11-5-6-13(3,4)12(8)11;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyUJKGOUZGOSRGQB-UHFFFAOYSA-N
XLogP3.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 929819
5H-1-Pyrindine, 6,7-dihydro-4-amino-2,3-dimethyl-, hydrate
CID 3046824
3-chloro-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 930294
1-butyl-3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 1941664
2,4,6-Trimethylpyridine-3,5-dicarbonitrile
CID 15496442
4,6-Dimethylpyridine-2,3,5-tricarbonitrile
CID 10511628
5,6,7,8-Tetrahydro-1-methyl-3-(1-methylethyl)-4-isoquinolinecarbonitrile
CID 21629195
5,6,7,8-Tetrahydro-1,5,5-trimethyl-3-(1-methylethyl)-4-isoquinolinecarbonitrile
CID 129708096
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile
CID 916175
Pentaethylpyridine
CID 15439677
2-Ethyl-3,4,5,6-tetramethylpyridine
CID 21481160
2,3-Diethyl-4,5,6-trimethylpyridine
CID 57063259

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile (CID 177024346) is ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile is CC.Cc1nc2c(c(C)c1C#N)C(C)(C)CC2.
What is the InChIKey of ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is UJKGOUZGOSRGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-8-10(7-14)9(2)15-11-5-6-13(3,4)12(8)11;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile?
ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 230.35 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5,5-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 177024346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).