3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione

C10H16N2S2 — CID 139376700

IUPAC3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCCCN)c(=S)c1=S
InChIInChI=1S/C10H16N2S2/c1-7-8(10(14)9(7)13)12(2)6-4-3-5-11/h3-6,11H2,1-2H3
InChIKeyKUMBRDXGACQCRX-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.50
Rot. Bonds5

About 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione

3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376700) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376700
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCc1c(N(C)CCCCN)c(=S)c1=S
InChIInChI=1S/C10H16N2S2/c1-7-8(10(14)9(7)13)12(2)6-4-3-5-11/h3-6,11H2,1-2H3
InChIKeyKUMBRDXGACQCRX-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[Ethyl(methyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376697
3-[2-Aminoethyl(methyl)amino]-4-tert-butylcyclobut-3-ene-1,2-dithione
CID 139376698
3-Methyl-4-[3-(methylamino)propylamino]cyclobut-3-ene-1,2-dithione
CID 139376699
3-Ethyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 139376701
3-[2-(Dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376702
3-(3-Aminopropylamino)-2-methyl-4-sulfanylcyclobut-2-ene-1-thione
CID 139376703
3-Methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dithione
CID 139376704
2-[3-(Diethylamino)propylamino]-3-methyl-4-sulfanylcyclobut-2-ene-1-thione
CID 139376705
3-[3-(Diethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376706
3-[3-[Ethyl(propyl)amino]propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376707
3-[3-(Dipropylamino)propylamino]-2-methyl-4-sulfanylcyclobut-2-ene-1-thione
CID 139376708
3-[3-(Dimethylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 139376709

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376700) is 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione is Cc1c(N(C)CCCCN)c(=S)c1=S.
What is the InChIKey of 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is KUMBRDXGACQCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7-8(10(14)9(7)13)12(2)6-4-3-5-11/h3-6,11H2,1-2H3.
What are the key properties of 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 228.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).