3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione

C15H26N2O2 — CID 155278362

IUPAC3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCCCCCCN(C)c1c(N(CC)CC)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-5-8-9-10-11-16(4)12-13(15(19)14(12)18)17(6-2)7-3/h5-11H2,1-4H3
InChIKeyNTNCWWMAUSKIDD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.15
Rot. Bonds9

About 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione

3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 155278362) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
PubChem CID155278362
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCCCCCCN(C)c1c(N(CC)CC)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-5-8-9-10-11-16(4)12-13(15(19)14(12)18)17(6-2)7-3/h5-11H2,1-4H3
InChIKeyNTNCWWMAUSKIDD-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
CID 155278397
dodecyl-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)-methylamino]propyl]-dimethylazanium
CID 155522196
2-[4,4-dimethylpentyl(methyl)amino]-3-[3-(dioctylamino)propyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 166507084
ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
CID 155599654
3-[4-[ethyl(methyl)amino]butyl-methylamino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 146179863
3-[butyl(methyl)amino]-2-(dimethylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155278363
2-(diethylamino)-3-[3,3-dimethylbutyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179634
N-ethyl-N-methyltridecan-1-amine
CID 71442842
3-tert-butyl-4-[3-[ethyl(propyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione
CID 146180046
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N,N-dimethyloctan-1-amine
CID 161279104
N-hexyl-N-methyldodecan-1-amine
CID 139978744

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione (CID 155278362) is 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione is CCCCCCN(C)c1c(N(CC)CC)c(=O)c1=O.
What is the InChIKey of 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is NTNCWWMAUSKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-8-9-10-11-16(4)12-13(15(19)14(12)18)17(6-2)7-3/h5-11H2,1-4H3.
What are the key properties of 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione?
3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 155278362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).