1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one

C16H30N2O2 — CID 155582475

IUPAC1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
SMILESCCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-5-8-17-11-12-20-16(13-17)6-9-18(10-7-16)15(19)14(2)3/h14H,4-13H2,1-3H3
InChIKeyPEVNOSOOFNCWFZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one

1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one (PubChem CID 155582475) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
PubChem CID155582475
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
SMILESCCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-5-8-17-11-12-20-16(13-17)6-9-18(10-7-16)15(19)14(2)3/h14H,4-13H2,1-3H3
InChIKeyPEVNOSOOFNCWFZ-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one (CID 155582475) is 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one is CCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The InChIKey is PEVNOSOOFNCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-5-8-17-11-12-20-16(13-17)6-9-18(10-7-16)15(19)14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one is sourced from PubChem (CID 155582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).