2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine

C23H29N — CID 66780778

IUPAC2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine
SMILESCc1cc2c(cc1C1(c3ccccn3)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H29N/c1-16-14-18-19(22(4,5)10-9-21(18,2)3)15-17(16)23(11-12-23)20-8-6-7-13-24-20/h6-8,13-15H,9-12H2,1-5H3
InChIKeyQBUSWXYMJGAUMO-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.82
Rot. Bonds2

About 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine

2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine (PubChem CID 66780778) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine
PubChem CID66780778
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine
SMILESCc1cc2c(cc1C1(c3ccccn3)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H29N/c1-16-14-18-19(22(4,5)10-9-21(18,2)3)15-17(16)23(11-12-23)20-8-6-7-13-24-20/h6-8,13-15H,9-12H2,1-5H3
InChIKeyQBUSWXYMJGAUMO-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2-methyldiazet-1-yl)methyl]-2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine
CID 142996493
(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
CID 138984515
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 59086526
2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]cyclohexane-1,3-dione
CID 11407726
3-[4-hydroxy-3-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoic acid
CID 70183794
2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid
CID 135239959
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]cyclohex-2-en-1-one
CID 142982016
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
CID 19595639
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
CID 15734054
2-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine;iridium;2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
CID 140790010

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine?
The IUPAC name of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine (CID 66780778) is 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine.
What is the SMILES notation for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine?
The canonical SMILES for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine is Cc1cc2c(cc1C1(c3ccccn3)CC1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine?
The InChIKey is QBUSWXYMJGAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-16-14-18-19(22(4,5)10-9-21(18,2)3)15-17(16)23(11-12-23)20-8-6-7-13-24-20/h6-8,13-15H,9-12H2,1-5H3.
What are the key properties of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine?
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine has a molecular weight of 319.49 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine is sourced from PubChem (CID 66780778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).