3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione

C15H26N2O2 — CID 139376644

IUPAC3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCN(C)c1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-7-16(5)9-8-10-17(6)12-11(15(2,3)4)13(18)14(12)19/h7-10H2,1-6H3
InChIKeyYPEPCGCAASUIPU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.36
Rot. Bonds6

About 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione

3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione (PubChem CID 139376644) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione
PubChem CID139376644
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCN(C)c1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-7-16(5)9-8-10-17(6)12-11(15(2,3)4)13(18)14(12)19/h7-10H2,1-6H3
InChIKeyYPEPCGCAASUIPU-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-Tert-butyl-4-(diethylamino)-3-cyclobutene-1,2-dione
CID 1803465
3-Tert-butyl-4-(1-piperidinyl)-3-cyclobutene-1,2-dione
CID 1803468
3-[[(2S)-2-amino-3,3-dimethylbutyl]amino]-4-tert-butylcyclobut-3-ene-1,2-dione
CID 57981969
3-Ethyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
CID 57981977
3-[Methyl(propan-2-yl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 57981978
3-Tert-butyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
CID 57982011
3-Tert-butyl-4-(ethylamino)cyclobut-3-ene-1,2-dione
CID 58222478
3-(Dimethylamino)-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 58382092
3-[Ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 58557785
3-Tert-butyl-4-[methyl(2-methylpropyl)amino]cyclobut-3-ene-1,2-dione
CID 59832917
3-Cyclopropyl-4-[methyl(2-methylpropyl)amino]cyclobut-3-ene-1,2-dione
CID 59832973
3-[Methyl(2-methylpropyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 59832990

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione (CID 139376644) is 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione is CCN(C)CCCN(C)c1c(C(C)(C)C)c(=O)c1=O.
What is the InChIKey of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is YPEPCGCAASUIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-7-16(5)9-8-10-17(6)12-11(15(2,3)4)13(18)14(12)19/h7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione?
3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139376644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).