2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H29N3O — CID 70828917

IUPAC2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)C1CCC(C2=NC3(CCNCC3)C(=O)N2)CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-6-4-12(5-7-13)14-19-15(21)17(20-14)8-10-18-11-9-17/h12-13,18H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyFOUUZWCRRALSME-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70828917) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70828917
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)C1CCC(C2=NC3(CCNCC3)C(=O)N2)CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-6-4-12(5-7-13)14-19-15(21)17(20-14)8-10-18-11-9-17/h12-13,18H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyFOUUZWCRRALSME-UHFFFAOYSA-N
XLogP2.49
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70828917) is 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)(C)C1CCC(C2=NC3(CCNCC3)C(=O)N2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is FOUUZWCRRALSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2,3)13-6-4-12(5-7-13)14-19-15(21)17(20-14)8-10-18-11-9-17/h12-13,18H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 291.44 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).