1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol

C18H28N2O — CID 167861534

IUPAC1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNC1CCC2(CCNC2)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-17(21,15-5-3-2-4-6-15)13-20-16-7-9-18(10-8-16)11-12-19-14-18/h2-6,16,19-21H,7-14H2,1H3
InChIKeyRTMNSCSNEHSKGV-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol

1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol (PubChem CID 167861534) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol
PubChem CID167861534
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNC1CCC2(CCNC2)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-17(21,15-5-3-2-4-6-15)13-20-16-7-9-18(10-8-16)11-12-19-14-18/h2-6,16,19-21H,7-14H2,1H3
InChIKeyRTMNSCSNEHSKGV-UHFFFAOYSA-N
XLogP2.41
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol (CID 167861534) is 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol is CC(O)(CNC1CCC2(CCNC2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol?
The InChIKey is RTMNSCSNEHSKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(21,15-5-3-2-4-6-15)13-20-16-7-9-18(10-8-16)11-12-19-14-18/h2-6,16,19-21H,7-14H2,1H3.
What are the key properties of 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol?
1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 167861534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).