4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one

C12H21N3O — CID 138391379

IUPAC4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCCCC2C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)9-6-4-5-7-12(9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyAKXSZMLUDDEYQQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds1

About 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138391379) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138391379
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCCCC2C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)9-6-4-5-7-12(9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyAKXSZMLUDDEYQQ-UHFFFAOYSA-N
XLogP2.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one (CID 138391379) is 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C)C12CCCCC2C(C)C.
What is the InChIKey of 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is AKXSZMLUDDEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)9-6-4-5-7-12(9)10(13)14-11(16)15(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138391379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).