2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one

C15H28N4O — CID 82998898

IUPAC2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
SMILESCC(C)N1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C15H28N4O/c1-11(2)19-9-6-7-15(8-10-19)12(20)16-13(18-15)17-14(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,20)
InChIKeyOHNJLBPICVYWPB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.49
Rot. Bonds1

About 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one

2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one (PubChem CID 82998898) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
PubChem CID82998898
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
SMILESCC(C)N1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C15H28N4O/c1-11(2)19-9-6-7-15(8-10-19)12(20)16-13(18-15)17-14(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,20)
InChIKeyOHNJLBPICVYWPB-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one (CID 82998898) is 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one is CC(C)N1CCCC2(CC1)N=C(NC(C)(C)C)NC2=O.
What is the InChIKey of 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
The InChIKey is OHNJLBPICVYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)19-9-6-7-15(8-10-19)12(20)16-13(18-15)17-14(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,20).
What are the key properties of 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one?
2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one has a molecular weight of 280.42 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one is sourced from PubChem (CID 82998898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).