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

C15H26N2O2 — CID 139376638

IUPAC3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCCCN(CCC)CCCCNc1c(C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-4-9-17(10-5-2)11-7-6-8-16-13-12(3)14(18)15(13)19/h16H,4-11H2,1-3H3
InChIKeyOSIGJZDQRXXDNB-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.91
Rot. Bonds10

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

3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione (PubChem CID 139376638) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
PubChem CID139376638
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCCCN(CCC)CCCCNc1c(C)c(=O)c1=O
InChIInChI=1S/C15H26N2O2/c1-4-9-17(10-5-2)11-7-6-8-16-13-12(3)14(18)15(13)19/h16H,4-11H2,1-3H3
InChIKeyOSIGJZDQRXXDNB-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione (CID 139376638) is 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione is CCCN(CCC)CCCCNc1c(C)c(=O)c1=O.
What is the InChIKey of 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The InChIKey is OSIGJZDQRXXDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-9-17(10-5-2)11-7-6-8-16-13-12(3)14(18)15(13)19/h16H,4-11H2,1-3H3.
What are the key properties of 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dipropylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139376638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).