1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one

C17H32N2O — CID 20622554

IUPAC1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one
SMILESCCN1CCC2(CC1)CCN(C(=O)CCC(C)C)CC2
InChIInChI=1S/C17H32N2O/c1-4-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)6-5-15(2)3/h15H,4-14H2,1-3H3
InChIKeyXBSRLUMHXOERLZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds4

About 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one

1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one (PubChem CID 20622554) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one
PubChem CID20622554
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one
SMILESCCN1CCC2(CC1)CCN(C(=O)CCC(C)C)CC2
InChIInChI=1S/C17H32N2O/c1-4-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)6-5-15(2)3/h15H,4-14H2,1-3H3
InChIKeyXBSRLUMHXOERLZ-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one (CID 20622554) is 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one is CCN1CCC2(CC1)CCN(C(=O)CCC(C)C)CC2.
What is the InChIKey of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one?
The InChIKey is XBSRLUMHXOERLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)6-5-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one?
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one is sourced from PubChem (CID 20622554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).