4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one

C15H27N3O — CID 138390097

IUPAC4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCC(C(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-10(2)12-6-5-8-15(9-7-12)13(16)17-14(19)18(15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyJLYPLOPCKLMTRZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.37
Rot. Bonds2

About 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one

4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one (PubChem CID 138390097) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one
PubChem CID138390097
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCCC(C(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-10(2)12-6-5-8-15(9-7-12)13(16)17-14(19)18(15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyJLYPLOPCKLMTRZ-UHFFFAOYSA-N
XLogP3.37
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.37
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-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one (CID 138390097) is 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCCC(C(C)C)CC2.
What is the InChIKey of 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one?
The InChIKey is JLYPLOPCKLMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)12-6-5-8-15(9-7-12)13(16)17-14(19)18(15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one?
4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 138390097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).