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

C16H30N2O — CID 167326865

IUPAC2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H30N2O/c1-13(2)15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyBYFIRXGZMYZVIA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds2

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

2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one (PubChem CID 167326865) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
PubChem CID167326865
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H30N2O/c1-13(2)15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyBYFIRXGZMYZVIA-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
ethane;1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177354793
2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
CID 170031553
2-methyl-1-[2-(propan-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 164567308
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
CID 170177648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one (CID 167326865) is 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one is CC(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The InChIKey is BYFIRXGZMYZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one is sourced from PubChem (CID 167326865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).