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

C10H19NS — CID 156714234

IUPAC(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
SMILESCC(C)=CS/C(=C\N)C(C)(C)C
InChIInChI=1S/C10H19NS/c1-8(2)7-12-9(6-11)10(3,4)5/h6-7H,11H2,1-5H3/b9-6-
InChIKeyDZOALEYUVSWZKG-TWGQIWQCSA-N
MW185.34 g/mol
LogP3.49
Rot. Bonds2

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

(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine (PubChem CID 156714234) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
PubChem CID156714234
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
SMILESCC(C)=CS/C(=C\N)C(C)(C)C
InChIInChI=1S/C10H19NS/c1-8(2)7-12-9(6-11)10(3,4)5/h6-7H,11H2,1-5H3/b9-6-
InChIKeyDZOALEYUVSWZKG-TWGQIWQCSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The IUPAC name of (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine (CID 156714234) is (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The canonical SMILES for (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine is CC(C)=CS/C(=C\N)C(C)(C)C.
What is the InChIKey of (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
The InChIKey is DZOALEYUVSWZKG-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)7-12-9(6-11)10(3,4)5/h6-7H,11H2,1-5H3/b9-6-.
What are the key properties of (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine?
(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine is sourced from PubChem (CID 156714234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).