4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one

C15H26N4O — CID 137158331

IUPAC4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC1CC2(CCN1)/C(=N/C1CCCCC1)NC(=O)N2C
InChIInChI=1S/C15H26N4O/c1-11-10-15(8-9-16-11)13(18-14(20)19(15)2)17-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyHNWZIQGXGKZADG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds1

About 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one

4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 137158331) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID137158331
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC1CC2(CCN1)/C(=N/C1CCCCC1)NC(=O)N2C
InChIInChI=1S/C15H26N4O/c1-11-10-15(8-9-16-11)13(18-14(20)19(15)2)17-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyHNWZIQGXGKZADG-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 137158331) is 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one is CC1CC2(CCN1)/C(=N/C1CCCCC1)NC(=O)N2C.
What is the InChIKey of 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is HNWZIQGXGKZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-10-15(8-9-16-11)13(18-14(20)19(15)2)17-12-6-4-3-5-7-12/h11-12,16H,3-10H2,1-2H3,(H,17,18,20).
What are the key properties of 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-1,7-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 137158331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).