ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione

C15H28N2O2 — CID 155599654

IUPACethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
SMILESCC.CCN(C)c1c(N(C)CCC(C)C)c(=O)c1=O
InChIInChI=1S/C13H22N2O2.C2H6/c1-6-14(4)10-11(13(17)12(10)16)15(5)8-7-9(2)3;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeySEUGYSLXMHKBEW-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.25
Rot. Bonds6

About ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione

ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 155599654) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Nameethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
PubChem CID155599654
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
SMILESCC.CCN(C)c1c(N(C)CCC(C)C)c(=O)c1=O
InChIInChI=1S/C13H22N2O2.C2H6/c1-6-14(4)10-11(13(17)12(10)16)15(5)8-7-9(2)3;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeySEUGYSLXMHKBEW-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.25
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-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 58557785
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
3-(dimethylamino)-2-[methyl(4-methylpentyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146180681
3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 146179863
3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 20712498
3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 155278362
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
2-amino-3-[methyl(5-methylhexyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179875
2-[ethyl(methyl)amino]-3-(5-methylhexylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155281364
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-cyclopropyl-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 89228559

Frequently Asked Questions

What is the IUPAC name of ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione (CID 155599654) is ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione is CC.CCN(C)c1c(N(C)CCC(C)C)c(=O)c1=O.
What is the InChIKey of ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is SEUGYSLXMHKBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.C2H6/c1-6-14(4)10-11(13(17)12(10)16)15(5)8-7-9(2)3;1-2/h9H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione?
ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 268.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 155599654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).