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

C15H27N3O — CID 138388488

IUPAC4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H27N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyPHHJJJHPZDVFAH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.23
Rot. Bonds3

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

4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388488) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388488
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H27N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyPHHJJJHPZDVFAH-UHFFFAOYSA-N
XLogP3.23
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.23
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-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (CID 138388488) is 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CC(C)CCC2C(C)C.
What is the InChIKey of 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PHHJJJHPZDVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h10-12H,5-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-9-methyl-6-propan-2-yl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).