methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine

C20H29NO — CID 160697643

IUPACmethane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
SMILESC.c1ccc2c(OCCCCCN3CCCC3)cccc2c1
InChIInChI=1S/C19H25NO.CH4/c1(4-13-20-14-5-6-15-20)7-16-21-19-12-8-10-17-9-2-3-11-18(17)19;/h2-3,8-12H,1,4-7,13-16H2;1H4
InChIKeyRQEWPMPNZAPEBE-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.12
Rot. Bonds7

About methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine

methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine (PubChem CID 160697643) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine.

Molecular Properties

Compound Namemethane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
PubChem CID160697643
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Namemethane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
SMILESC.c1ccc2c(OCCCCCN3CCCC3)cccc2c1
InChIInChI=1S/C19H25NO.CH4/c1(4-13-20-14-5-6-15-20)7-16-21-19-12-8-10-17-9-2-3-11-18(17)19;/h2-3,8-12H,1,4-7,13-16H2;1H4
InChIKeyRQEWPMPNZAPEBE-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.12
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

1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 48568943
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485

Frequently Asked Questions

What is the IUPAC name of methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine?
The IUPAC name of methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine (CID 160697643) is methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine.
What is the SMILES notation for methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine?
The canonical SMILES for methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine is C.c1ccc2c(OCCCCCN3CCCC3)cccc2c1.
What is the InChIKey of methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine?
The InChIKey is RQEWPMPNZAPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.CH4/c1(4-13-20-14-5-6-15-20)7-16-21-19-12-8-10-17-9-2-3-11-18(17)19;/h2-3,8-12H,1,4-7,13-16H2;1H4.
What are the key properties of methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine?
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine has a molecular weight of 299.46 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine is sourced from PubChem (CID 160697643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).