1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

C12H23N3O — CID 121229524

IUPAC1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCC(C)N1CCN(C)C2(CCNCC2)C1=O
InChIInChI=1S/C12H23N3O/c1-10(2)15-9-8-14(3)12(11(15)16)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyYIRYUXDCBREKLP-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds1

About 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 121229524) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID121229524
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCC(C)N1CCN(C)C2(CCNCC2)C1=O
InChIInChI=1S/C12H23N3O/c1-10(2)15-9-8-14(3)12(11(15)16)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyYIRYUXDCBREKLP-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 121229524) is 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CC(C)N1CCN(C)C2(CCNCC2)C1=O.
What is the InChIKey of 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is YIRYUXDCBREKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)15-9-8-14(3)12(11(15)16)4-6-13-7-5-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 121229524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).