1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

C14H23N3O — CID 138391040

IUPAC1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C12CCC(C)C(C)C2
InChIInChI=1S/C14H23N3O/c1-9-5-6-14(7-10(9)2)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeyHSZVZFFJVXMIGL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.59
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138391040) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138391040
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C12CCC(C)C(C)C2
InChIInChI=1S/C14H23N3O/c1-9-5-6-14(7-10(9)2)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeyHSZVZFFJVXMIGL-UHFFFAOYSA-N
XLogP2.59
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.59
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 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138391040) is 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C12CCC(C)C(C)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HSZVZFFJVXMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-5-6-14(7-10(9)2)12(15)16-13(18)17(14)8-11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138391040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).