(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine

C9H17NS — CID 167129759

IUPAC(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
SMILESCC(C)=CS/C(=C\N)C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)6-11-9(5-10)8(3)4/h5-6,8H,10H2,1-4H3/b9-5-
InChIKeyJCHITILFIKMXDF-UITAMQMPSA-N
MW171.31 g/mol
LogP3.10
Rot. Bonds3

About (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine

(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine (PubChem CID 167129759) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
PubChem CID167129759
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
SMILESCC(C)=CS/C(=C\N)C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)6-11-9(5-10)8(3)4/h5-6,8H,10H2,1-4H3/b9-5-
InChIKeyJCHITILFIKMXDF-UITAMQMPSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine (CID 167129759) is (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine is CC(C)=CS/C(=C\N)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The InChIKey is JCHITILFIKMXDF-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)6-11-9(5-10)8(3)4/h5-6,8H,10H2,1-4H3/b9-5-.
What are the key properties of (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine is sourced from PubChem (CID 167129759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).