2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one

C20H38N2O — CID 170031553

IUPAC2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C20H38N2O/c1-16(2)15-19(5,6)18(23)22-13-9-20(10-14-22)7-11-21(12-8-20)17(3)4/h16-17H,7-15H2,1-6H3
InChIKeyGEFQCZWOCFKIQN-UHFFFAOYSA-N
MW322.54 g/mol
LogP4.17
Rot. Bonds4

About 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one

2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one (PubChem CID 170031553) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
PubChem CID170031553
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C20H38N2O/c1-16(2)15-19(5,6)18(23)22-13-9-20(10-14-22)7-11-21(12-8-20)17(3)4/h16-17H,7-15H2,1-6H3
InChIKeyGEFQCZWOCFKIQN-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one?
The IUPAC name of 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one (CID 170031553) is 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one.
What is the SMILES notation for 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one?
The canonical SMILES for 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one is CC(C)CC(C)(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one?
The InChIKey is GEFQCZWOCFKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-16(2)15-19(5,6)18(23)22-13-9-20(10-14-22)7-11-21(12-8-20)17(3)4/h16-17H,7-15H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one?
2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one has a molecular weight of 322.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one is sourced from PubChem (CID 170031553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).