2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane

C19H30N2 — CID 102849402

IUPAC2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
SMILESCCC(Cc1ccccc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C19H30N2/c1-2-18(14-17-8-4-3-5-9-17)21-13-7-11-19(16-21)10-6-12-20-15-19/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3
InChIKeyOUXMVZKOCYLRSY-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.47
Rot. Bonds4

About 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane

2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102849402) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
PubChem CID102849402
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
SMILESCCC(Cc1ccccc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C19H30N2/c1-2-18(14-17-8-4-3-5-9-17)21-13-7-11-19(16-21)10-6-12-20-15-19/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3
InChIKeyOUXMVZKOCYLRSY-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
2-decan-3-yl-2,9-diazaspiro[4.5]decane
CID 156519144
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849380
1-(1-phenylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984643
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849368
3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
CID 125489630
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
CID 102849931

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane (CID 102849402) is 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane is CCC(Cc1ccccc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is OUXMVZKOCYLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-18(14-17-8-4-3-5-9-17)21-13-7-11-19(16-21)10-6-12-20-15-19/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3.
What are the key properties of 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane?
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).