3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane

C19H29N — CID 125489630

IUPAC3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
SMILESC[C@@H](Cc1ccccc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H29N/c1-17(16-18-8-4-2-5-9-18)20-14-12-19(13-15-20)10-6-3-7-11-19/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m0/s1
InChIKeyXTMJBOZPGNYHPG-KRWDZBQOSA-N
MW271.45 g/mol
LogP4.66
Rot. Bonds3

About 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane

3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane (PubChem CID 125489630) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
PubChem CID125489630
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
SMILESC[C@@H](Cc1ccccc1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H29N/c1-17(16-18-8-4-2-5-9-18)20-14-12-19(13-15-20)10-6-3-7-11-19/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m0/s1
InChIKeyXTMJBOZPGNYHPG-KRWDZBQOSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane?
The IUPAC name of 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane (CID 125489630) is 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane is C[C@@H](Cc1ccccc1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane?
The InChIKey is XTMJBOZPGNYHPG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N/c1-17(16-18-8-4-2-5-9-18)20-14-12-19(13-15-20)10-6-3-7-11-19/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m0/s1.
What are the key properties of 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane?
3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane has a molecular weight of 271.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 125489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).