ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane

C17H29N — CID 165136172

IUPACethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
SMILESCC.CC.c1ccc([C@H]2NCC23CCCC3)cc1
InChIInChI=1S/C13H17N.2C2H6/c1-2-6-11(7-3-1)12-13(10-14-12)8-4-5-9-13;2*1-2/h1-3,6-7,12,14H,4-5,8-10H2;2*1-2H3/t12-;;/m1../s1
InChIKeyCMZPVNPNFDLECM-CURYUGHLSA-N
MW247.43 g/mol
LogP4.94
Rot. Bonds1

About ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane

ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane (PubChem CID 165136172) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
PubChem CID165136172
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Nameethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
SMILESCC.CC.c1ccc([C@H]2NCC23CCCC3)cc1
InChIInChI=1S/C13H17N.2C2H6/c1-2-6-11(7-3-1)12-13(10-14-12)8-4-5-9-13;2*1-2/h1-3,6-7,12,14H,4-5,8-10H2;2*1-2H3/t12-;;/m1../s1
InChIKeyCMZPVNPNFDLECM-CURYUGHLSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67254641
3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
8-methyl-7-phenyl-6-oxa-9-azaspiro[4.5]decane
CID 65103492
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
ethane;(2S)-2-phenylaziridine
CID 145185749
3,3-difluoro-5-methyl-2-phenylpiperidine
CID 167240440
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(3R)-7,7-difluoro-3-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane
CID 125457899

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane?
The IUPAC name of ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane (CID 165136172) is ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane.
What is the SMILES notation for ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane?
The canonical SMILES for ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane is CC.CC.c1ccc([C@H]2NCC23CCCC3)cc1.
What is the InChIKey of ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane?
The InChIKey is CMZPVNPNFDLECM-CURYUGHLSA-N. The full InChI is InChI=1S/C13H17N.2C2H6/c1-2-6-11(7-3-1)12-13(10-14-12)8-4-5-9-13;2*1-2/h1-3,6-7,12,14H,4-5,8-10H2;2*1-2H3/t12-;;/m1../s1.
What are the key properties of ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane?
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane has a molecular weight of 247.43 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane is sourced from PubChem (CID 165136172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).