(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane

C19H23N — CID 58019049

IUPAC(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane
SMILESC1=CCC(N2C[C@H]3CC[C@@H](C2)C3Cc2ccccc2)=C1
InChIInChI=1S/C19H23N/c1-2-6-15(7-3-1)12-19-16-10-11-17(19)14-20(13-16)18-8-4-5-9-18/h1-8,16-17,19H,9-14H2/t16-,17+,19?
InChIKeyDKGSFDSMFCBPOZ-JJTKIYQPSA-N
MW265.40 g/mol
LogP4.03
Rot. Bonds3

About (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane

(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane (PubChem CID 58019049) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane
PubChem CID58019049
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane
SMILESC1=CCC(N2C[C@H]3CC[C@@H](C2)C3Cc2ccccc2)=C1
InChIInChI=1S/C19H23N/c1-2-6-15(7-3-1)12-19-16-10-11-17(19)14-20(13-16)18-8-4-5-9-18/h1-8,16-17,19H,9-14H2/t16-,17+,19?
InChIKeyDKGSFDSMFCBPOZ-JJTKIYQPSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1S,5R)-9-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.3.1]nonane
CID 58479349
(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
CID 167446481
5-benzyl-2-cyclopropyl-1-methylpiperazine
CID 64848784
(2R)-2-benzyl-1-methylaziridine
CID 87174257
ethyl 5-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 18335577
(2,3,4-trimethylcyclobutyl)methylbenzene
CID 90929124
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
CID 22238389
cyclopropylmethylbenzene;ethane;methane
CID 142248267
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane (CID 58019049) is (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane is C1=CCC(N2C[C@H]3CC[C@@H](C2)C3Cc2ccccc2)=C1.
What is the InChIKey of (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane?
The InChIKey is DKGSFDSMFCBPOZ-JJTKIYQPSA-N. The full InChI is InChI=1S/C19H23N/c1-2-6-15(7-3-1)12-19-16-10-11-17(19)14-20(13-16)18-8-4-5-9-18/h1-8,16-17,19H,9-14H2/t16-,17+,19?.
What are the key properties of (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane?
(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane has a molecular weight of 265.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).