4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine

C17H33N3O — CID 56894471

IUPAC4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CCC2(CCNCC2)CC1)N1CCOCC1
InChIInChI=1S/C17H33N3O/c1-16(2,20-11-13-21-14-12-20)15-19-9-5-17(6-10-19)3-7-18-8-4-17/h18H,3-15H2,1-2H3
InChIKeyFEGNYLKNUMYQPK-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds3

About 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine

4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine (PubChem CID 56894471) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
PubChem CID56894471
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CCC2(CCNCC2)CC1)N1CCOCC1
InChIInChI=1S/C17H33N3O/c1-16(2,20-11-13-21-14-12-20)15-19-9-5-17(6-10-19)3-7-18-8-4-17/h18H,3-15H2,1-2H3
InChIKeyFEGNYLKNUMYQPK-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine (CID 56894471) is 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine is CC(C)(CN1CCC2(CCNCC2)CC1)N1CCOCC1.
What is the InChIKey of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine?
The InChIKey is FEGNYLKNUMYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(2,20-11-13-21-14-12-20)15-19-9-5-17(6-10-19)3-7-18-8-4-17/h18H,3-15H2,1-2H3.
What are the key properties of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine?
4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 56894471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).