2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine

C14H25NS — CID 134888366

IUPAC2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine
SMILESCCN(CC)C1=C(C(C)(C)C)C(SC)=C1C
InChIInChI=1S/C14H25NS/c1-8-15(9-2)12-10(3)13(16-7)11(12)14(4,5)6/h8-9H2,1-7H3
InChIKeySKYBNUMDCSMTIA-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.28
Rot. Bonds4

About 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine

2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine (PubChem CID 134888366) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine
PubChem CID134888366
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine
SMILESCCN(CC)C1=C(C(C)(C)C)C(SC)=C1C
InChIInChI=1S/C14H25NS/c1-8-15(9-2)12-10(3)13(16-7)11(12)14(4,5)6/h8-9H2,1-7H3
InChIKeySKYBNUMDCSMTIA-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine?
The IUPAC name of 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine (CID 134888366) is 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine.
What is the SMILES notation for 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine?
The canonical SMILES for 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine is CCN(CC)C1=C(C(C)(C)C)C(SC)=C1C.
What is the InChIKey of 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine?
The InChIKey is SKYBNUMDCSMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-8-15(9-2)12-10(3)13(16-7)11(12)14(4,5)6/h8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine?
2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine is sourced from PubChem (CID 134888366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).