3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione

C11H18N2S2 — CID 139376698

IUPAC3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione
SMILESCN(CCN)c1c(C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C11H18N2S2/c1-11(2,3)7-8(10(15)9(7)14)13(4)6-5-12/h5-6,12H2,1-4H3
InChIKeyKMIGJTWMCOJNOB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione

3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione (PubChem CID 139376698) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione
PubChem CID139376698
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione
SMILESCN(CCN)c1c(C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C11H18N2S2/c1-11(2,3)7-8(10(15)9(7)14)13(4)6-5-12/h5-6,12H2,1-4H3
InChIKeyKMIGJTWMCOJNOB-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione 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-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione (CID 139376698) is 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione is CN(CCN)c1c(C(C)(C)C)c(=S)c1=S.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione?
The InChIKey is KMIGJTWMCOJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-11(2,3)7-8(10(15)9(7)14)13(4)6-5-12/h5-6,12H2,1-4H3.
What are the key properties of 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione?
3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione has a molecular weight of 242.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).