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

C14H24N2S2 — CID 139376714

IUPAC3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCCN(CC)CCCCNc1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-4-9-16(5-2)10-7-6-8-15-12-11(3)13(17)14(12)18/h15H,4-10H2,1-3H3
InChIKeyQBYWWXZRNPBDLT-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.25
Rot. Bonds9

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

3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione (PubChem CID 139376714) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione
PubChem CID139376714
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione
SMILESCCCN(CC)CCCCNc1c(C)c(=S)c1=S
InChIInChI=1S/C14H24N2S2/c1-4-9-16(5-2)10-7-6-8-15-12-11(3)13(17)14(12)18/h15H,4-10H2,1-3H3
InChIKeyQBYWWXZRNPBDLT-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.25
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-tert-butyl-2-[3-[ethyl(propyl)amino]propylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438732
2-[4-[ethyl(propyl)amino]butylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 155599648
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
3-tert-butyl-4-[4-(diethylamino)butyl-methylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butyl-methylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dipropylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butyl-methylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butyl-methylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-[methyl(propyl)amino]butyl]amino]cyclobut-3-ene-1,2-dithione
CID 167665978
3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 153438719
3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 167673286
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
3-(butylamino)-4-(diethylamino)cyclobut-3-ene-1,2-dithione;ethane
CID 156727832
N-ethyl-N-propyldecan-1-amine
CID 56933807
2-tert-butyl-3-[4-[ethyl(methyl)amino]butylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438731
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione (CID 139376714) is 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione is CCCN(CC)CCCCNc1c(C)c(=S)c1=S.
What is the InChIKey of 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione?
The InChIKey is QBYWWXZRNPBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-4-9-16(5-2)10-7-6-8-15-12-11(3)13(17)14(12)18/h15H,4-10H2,1-3H3.
What are the key properties of 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione?
3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione has a molecular weight of 284.49 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(propyl)amino]butylamino]-4-methylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 139376714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).