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

C11H18N2O2 — CID 139376632

IUPAC3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCc1c(NCCCCN(C)C)c(=O)c1=O
InChIInChI=1S/C11H18N2O2/c1-8-9(11(15)10(8)14)12-6-4-5-7-13(2)3/h12H,4-7H2,1-3H3
InChIKeyUZQNLYQWXDGWGJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds6

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

3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione (PubChem CID 139376632) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
PubChem CID139376632
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCc1c(NCCCCN(C)C)c(=O)c1=O
InChIInChI=1S/C11H18N2O2/c1-8-9(11(15)10(8)14)12-6-4-5-7-13(2)3/h12H,4-7H2,1-3H3
InChIKeyUZQNLYQWXDGWGJ-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
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'}

Analyze 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione (CID 139376632) is 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione is Cc1c(NCCCCN(C)C)c(=O)c1=O.
What is the InChIKey of 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
The InChIKey is UZQNLYQWXDGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(11(15)10(8)14)12-6-4-5-7-13(2)3/h12H,4-7H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione?
3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione has a molecular weight of 210.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butylamino]-4-methylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139376632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).