4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one

C12H22N4O — CID 138391273

IUPAC4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCN(C)C(C)C2
InChIInChI=1S/C12H22N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(4)9(3)7-12/h8-9H,5-7H2,1-4H3,(H2,13,14,17)
InChIKeySYVOMIAXIYADAZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.25
Rot. Bonds1

About 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one

4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 138391273) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID138391273
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCN(C)C(C)C2
InChIInChI=1S/C12H22N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(4)9(3)7-12/h8-9H,5-7H2,1-4H3,(H2,13,14,17)
InChIKeySYVOMIAXIYADAZ-UHFFFAOYSA-N
XLogP1.25
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one (CID 138391273) is 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCN(C)C(C)C2.
What is the InChIKey of 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is SYVOMIAXIYADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)16-11(17)14-10(13)12(16)5-6-15(4)9(3)7-12/h8-9H,5-7H2,1-4H3,(H2,13,14,17).
What are the key properties of 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).