3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine

C11H23NS — CID 118613530

IUPAC3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine
SMILESCC/C(=C\SC)NC(C)C(C)CC
InChIInChI=1S/C11H23NS/c1-6-9(3)10(4)12-11(7-2)8-13-5/h8-10,12H,6-7H2,1-5H3/b11-8+
InChIKeyZEDMMFNWJKOLEF-DHZHZOJOSA-N
MW201.38 g/mol
LogP3.62
Rot. Bonds6

About 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine

3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine (PubChem CID 118613530) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine
PubChem CID118613530
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine
SMILESCC/C(=C\SC)NC(C)C(C)CC
InChIInChI=1S/C11H23NS/c1-6-9(3)10(4)12-11(7-2)8-13-5/h8-10,12H,6-7H2,1-5H3/b11-8+
InChIKeyZEDMMFNWJKOLEF-DHZHZOJOSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129201174
CID 129201174
CID 131998081
CID 131998081
CID 134398164
CID 134398164
CID 135173823
CID 135173823
CID 139430588
CID 139430588
CID 139430603
CID 139430603
CID 142320055
CID 142320055
CID 146589424
CID 146589424
CID 169684367
CID 169684367
CID 170061764
CID 170061764
CID 170095741
CID 170095741
CID 174337113
CID 174337113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine (CID 118613530) is 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine is CC/C(=C\SC)NC(C)C(C)CC.
What is the InChIKey of 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine?
The InChIKey is ZEDMMFNWJKOLEF-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-9(3)10(4)12-11(7-2)8-13-5/h8-10,12H,6-7H2,1-5H3/b11-8+.
What are the key properties of 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine?
3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine is sourced from PubChem (CID 118613530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).