4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione

C14H24N2S2 — CID 146475279

IUPAC4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCCCCN(C)c1c(N(C)C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-7-8-9-15(5)10-11(13(18)12(10)17)16(6)14(2,3)4/h7-9H2,1-6H3
InChIKeyIKPDVRBJOPHTHF-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.49
Rot. Bonds5

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

4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione (PubChem CID 146475279) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione
PubChem CID146475279
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione
SMILESCCCCN(C)c1c(N(C)C(C)(C)C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-7-8-9-15(5)10-11(13(18)12(10)17)16(6)14(2,3)4/h7-9H2,1-6H3
InChIKeyIKPDVRBJOPHTHF-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-4-(diethylamino)cyclobut-3-ene-1,2-dithione
CID 155278397
2-[tert-butyl(methyl)amino]-3-[4,4-dimethylpentyl(methyl)amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 166507041
3-[butyl(methyl)amino]-2-(dimethylamino)-4-sulfanylidenecyclobut-2-en-1-one
CID 155278363
3-(dimethylamino)-4-[5,5-dimethylhexyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 146180088
3-[4,4-dimethylpentyl(methyl)amino]-4-[2-methoxyethyl(methyl)amino]cyclobut-3-ene-1,2-dithione
CID 166507040
3-tert-butyl-4-[3-[ethyl(methyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dithione
CID 146180683
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
2-[4,4-dimethylpentyl(methyl)amino]-3-[3-(dioctylamino)propyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 166507084
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
3-tert-butyl-2-[methyl-[4-[methyl(propyl)amino]butyl]amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146180607
3-tert-butyl-2-[methyl-[3-[methyl(propyl)amino]propyl]amino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179664
2-[3-(dipropylamino)propyl-methylamino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one;ethane;propane
CID 156727871

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The IUPAC name of 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione (CID 146475279) is 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The canonical SMILES for 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione is CCCCN(C)c1c(N(C)C(C)(C)C)c(=S)c1=S.
What is the InChIKey of 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
The InChIKey is IKPDVRBJOPHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-7-8-9-15(5)10-11(13(18)12(10)17)16(6)14(2,3)4/h7-9H2,1-6H3.
What are the key properties of 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione?
4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 284.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-3-[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 146475279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).