1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one

C15H25N3O — CID 138388661

IUPAC1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H25N3O/c1-9(2)12-7-4-10(3)8-15(12)13(16)17-14(19)18(15)11-5-6-11/h9-12H,4-8H2,1-3H3,(H2,16,17,19)
InChIKeyRBDZEWDOLHTQQV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.98
Rot. Bonds2

About 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one

1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388661) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388661
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H25N3O/c1-9(2)12-7-4-10(3)8-15(12)13(16)17-14(19)18(15)11-5-6-11/h9-12H,4-8H2,1-3H3,(H2,16,17,19)
InChIKeyRBDZEWDOLHTQQV-UHFFFAOYSA-N
XLogP2.98
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.98
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-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one (CID 138388661) is 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C2CC2)C12CC(C)CCC2C(C)C.
What is the InChIKey of 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RBDZEWDOLHTQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9(2)12-7-4-10(3)8-15(12)13(16)17-14(19)18(15)11-5-6-11/h9-12H,4-8H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one?
1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-imino-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).