6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile

C16H22N2 — CID 13133503

IUPAC6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
SMILESN#CCCCCCc1ccc2c(n1)CCCCC2
InChIInChI=1S/C16H22N2/c17-13-7-2-1-5-9-15-12-11-14-8-4-3-6-10-16(14)18-15/h11-12H,1-10H2
InChIKeyFSAXTMOKLPHQMK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.98
Rot. Bonds5

About 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile

6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile (PubChem CID 13133503) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile.

Molecular Properties

Compound Name6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
PubChem CID13133503
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
SMILESN#CCCCCCc1ccc2c(n1)CCCCC2
InChIInChI=1S/C16H22N2/c17-13-7-2-1-5-9-15-12-11-14-8-4-3-6-10-16(14)18-15/h11-12H,1-10H2
InChIKeyFSAXTMOKLPHQMK-UHFFFAOYSA-N
XLogP3.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
CID 157367520
2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 138374175
2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 122650556
2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline
CID 158440879
1-(azetidin-3-yl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentan-2-one
CID 158030932
2-acetamido-2-[3-hydroxy-1-[6-(5,6,7,8-tetrahydroquinolin-2-yl)hexanoyl]azetidin-3-yl]acetic acid
CID 148832342
1-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-one
CID 158081420
2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]butanoic acid
CID 149465295
3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
CID 157320941
N-(3-tert-butyl-4-hydroxypent-4-enyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanamide
CID 163443467
(2R)-2-[2-[(4S)-2,2-dimethyloxan-4-yl]-2-oxoethyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
CID 165032005
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407

Frequently Asked Questions

What is the IUPAC name of 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile?
The IUPAC name of 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile (CID 13133503) is 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile.
What is the SMILES notation for 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile?
The canonical SMILES for 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile is N#CCCCCCc1ccc2c(n1)CCCCC2.
What is the InChIKey of 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile?
The InChIKey is FSAXTMOKLPHQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-13-7-2-1-5-9-15-12-11-14-8-4-3-6-10-16(14)18-15/h11-12H,1-10H2.
What are the key properties of 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile?
6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile is sourced from PubChem (CID 13133503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).