(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine

C14H21N — CID 103092950

IUPAC(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-10-6-7-14(8-11(10)2)9-12(3)13(4)15-5/h6-9,13,15H,1-5H3/b12-9+
InChIKeyJXETYGCAKDAQKA-FMIVXFBMSA-N
MW203.33 g/mol
LogP3.31
Rot. Bonds3

About (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine

(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092950) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103092950
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-10-6-7-14(8-11(10)2)9-12(3)13(4)15-5/h6-9,13,15H,1-5H3/b12-9+
InChIKeyJXETYGCAKDAQKA-FMIVXFBMSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103092950) is (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(C)c(C)c1.
What is the InChIKey of (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is JXETYGCAKDAQKA-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H21N/c1-10-6-7-14(8-11(10)2)9-12(3)13(4)15-5/h6-9,13,15H,1-5H3/b12-9+.
What are the key properties of (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine?
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).