N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine

C8H17NS — CID 163411692

IUPACN-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine
SMILESC=C(NC)SC(C)(C)CC
InChIInChI=1S/C8H17NS/c1-6-8(3,4)10-7(2)9-5/h9H,2,6H2,1,3-5H3
InChIKeyABAOGDTZPWIZIZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine

N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine (PubChem CID 163411692) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine
PubChem CID163411692
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine
SMILESC=C(NC)SC(C)(C)CC
InChIInChI=1S/C8H17NS/c1-6-8(3,4)10-7(2)9-5/h9H,2,6H2,1,3-5H3
InChIKeyABAOGDTZPWIZIZ-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine?
The IUPAC name of N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine (CID 163411692) is N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine.
What is the SMILES notation for N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine?
The canonical SMILES for N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine is C=C(NC)SC(C)(C)CC.
What is the InChIKey of N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine?
The InChIKey is ABAOGDTZPWIZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6-8(3,4)10-7(2)9-5/h9H,2,6H2,1,3-5H3.
What are the key properties of N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine?
N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine has a molecular weight of 159.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine is sourced from PubChem (CID 163411692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).