(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine

C11H17NS — CID 103093192

IUPAC(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1sccc1C
InChIInChI=1S/C11H17NS/c1-8-5-6-13-11(8)7-9(2)10(3)12-4/h5-7,10,12H,1-4H3/b9-7+
InChIKeyTTYCZGLTMNSMHH-VQHVLOKHSA-N
MW195.33 g/mol
LogP3.07
Rot. Bonds3

About (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine

(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine (PubChem CID 103093192) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine
PubChem CID103093192
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1sccc1C
InChIInChI=1S/C11H17NS/c1-8-5-6-13-11(8)7-9(2)10(3)12-4/h5-7,10,12H,1-4H3/b9-7+
InChIKeyTTYCZGLTMNSMHH-VQHVLOKHSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine (CID 103093192) is (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine is CNC(C)/C(C)=C/c1sccc1C.
What is the InChIKey of (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine?
The InChIKey is TTYCZGLTMNSMHH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-5-6-13-11(8)7-9(2)10(3)12-4/h5-7,10,12H,1-4H3/b9-7+.
What are the key properties of (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine?
(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine is sourced from PubChem (CID 103093192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).