1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine

C22H28N2O — CID 89258833

IUPAC1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
SMILESO=NC1(C(CN2CCCC2)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C22H28N2O/c25-23-22(12-4-1-5-13-22)21(17-24-14-6-7-15-24)20-11-10-18-8-2-3-9-19(18)16-20/h2-3,8-11,16,21H,1,4-7,12-15,17H2
InChIKeyCCOPOPPLRYSEJK-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.49
Rot. Bonds5

About 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine

1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine (PubChem CID 89258833) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
PubChem CID89258833
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
SMILESO=NC1(C(CN2CCCC2)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C22H28N2O/c25-23-22(12-4-1-5-13-22)21(17-24-14-6-7-15-24)20-11-10-18-8-2-3-9-19(18)16-20/h2-3,8-11,16,21H,1,4-7,12-15,17H2
InChIKeyCCOPOPPLRYSEJK-UHFFFAOYSA-N
XLogP5.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclohexan-1-ol;hydrochloride
CID 68855549
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclobutan-1-ol
CID 59701242
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
CID 2211387
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-[1-[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855415
1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
CID 143036912
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081

Frequently Asked Questions

What is the IUPAC name of 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine (CID 89258833) is 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine is O=NC1(C(CN2CCCC2)c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine?
The InChIKey is CCOPOPPLRYSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-23-22(12-4-1-5-13-22)21(17-24-14-6-7-15-24)20-11-10-18-8-2-3-9-19(18)16-20/h2-3,8-11,16,21H,1,4-7,12-15,17H2.
What are the key properties of 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine?
1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine has a molecular weight of 336.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine is sourced from PubChem (CID 89258833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).