3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione

C10H16N2O2 — CID 156818276

IUPAC3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1cc(=O)c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-12(2)6-4-11-8-7-9(13)10(8)14/h7,11H,3-6H2,1-2H3
InChIKeyNPSUJPDBDCBWTD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds6

About 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione

3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (PubChem CID 156818276) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
PubChem CID156818276
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1cc(=O)c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-12(2)6-4-11-8-7-9(13)10(8)14/h7,11H,3-6H2,1-2H3
InChIKeyNPSUJPDBDCBWTD-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dipropylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 155599638
3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
CID 146180039
3-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 156818351
3-(2-methylpropylamino)cyclobut-3-ene-1,2-dione
CID 11171097
N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441227
2-[4-[ethyl(propyl)amino]butylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 155599648
2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 155719922
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
3-(but-2-enylamino)cyclobut-3-ene-1,2-dione
CID 56620432
3-tert-butyl-4-[3-[methyl(propyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 153438716
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (CID 156818276) is 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is CCCN(C)CCNc1cc(=O)c1=O.
What is the InChIKey of 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is NPSUJPDBDCBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-12(2)6-4-11-8-7-9(13)10(8)14/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 196.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 156818276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).