3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione

C15H26N2O2 — CID 139376637

IUPAC3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCCCN(CCC)CCCN(C)c1c(C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h5-11H2,1-4H3
InChIKeyWISNBRMNNKKUDU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.54
Rot. Bonds9

About 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione

3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione (PubChem CID 139376637) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
PubChem CID139376637
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCCCN(CCC)CCCN(C)c1c(C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h5-11H2,1-4H3
InChIKeyWISNBRMNNKKUDU-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione (CID 139376637) is 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione is CCCN(CCC)CCCN(C)c1c(C)c(=O)c1=O.
What is the InChIKey of 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The InChIKey is WISNBRMNNKKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h5-11H2,1-4H3.
What are the key properties of 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139376637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).