(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine

C12H17N — CID 13212930

IUPAC(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine
SMILESC/C(=C\CN(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b11-9+
InChIKeyIQGMTNBLSHIYDJ-PKNBQFBNSA-N
MW175.28 g/mol
LogP2.65
Rot. Bonds3

About (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine

(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine (PubChem CID 13212930) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine
PubChem CID13212930
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine
SMILESC/C(=C\CN(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b11-9+
InChIKeyIQGMTNBLSHIYDJ-PKNBQFBNSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine (CID 13212930) is (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine is C/C(=C\CN(C)C)c1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine?
The InChIKey is IQGMTNBLSHIYDJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H17N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b11-9+.
What are the key properties of (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine?
(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenylbut-2-en-1-amine is sourced from PubChem (CID 13212930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).