2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one

C19H33NO — CID 63484106

IUPAC2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C19H33NO/c1-2-16-6-7-18(21)17(14-16)15-20-12-10-19(11-13-20)8-4-3-5-9-19/h16-17H,2-15H2,1H3
InChIKeyIQYBVRLKJYMVAT-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one (PubChem CID 63484106) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one
PubChem CID63484106
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C19H33NO/c1-2-16-6-7-18(21)17(14-16)15-20-12-10-19(11-13-20)8-4-3-5-9-19/h16-17H,2-15H2,1H3
InChIKeyIQYBVRLKJYMVAT-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one (CID 63484106) is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one?
The InChIKey is IQYBVRLKJYMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-16-6-7-18(21)17(14-16)15-20-12-10-19(11-13-20)8-4-3-5-9-19/h16-17H,2-15H2,1H3.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one?
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one is sourced from PubChem (CID 63484106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).