3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

C14H24N2S2 — CID 139376707

IUPAC3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCCN(CC)CCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-5-8-16(6-2)10-7-9-15(4)12-11(3)13(17)14(12)18/h5-10H2,1-4H3
InChIKeyQMDCWAPIOGVWRF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.89
Rot. Bonds8

About 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione

3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376707) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376707
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCCN(CC)CCCN(C)c1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-5-8-16(6-2)10-7-9-15(4)12-11(3)13(17)14(12)18/h5-10H2,1-4H3
InChIKeyQMDCWAPIOGVWRF-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376707) is 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is CCCN(CC)CCCN(C)c1c(C)c(=S)c1=S.
What is the InChIKey of 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is QMDCWAPIOGVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-5-8-16(6-2)10-7-9-15(4)12-11(3)13(17)14(12)18/h5-10H2,1-4H3.
What are the key properties of 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 284.49 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).