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

C11H15N — CID 5473688

IUPAC(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccccc1
InChIInChI=1S/C11H15N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3/b9-6+
InChIKeySYUYXOYNRMMOGW-RMKNXTFCSA-N
MW161.25 g/mol
LogP2.26
Rot. Bonds3

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

(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 5473688) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID5473688
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccccc1
InChIInChI=1S/C11H15N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3/b9-6+
InChIKeySYUYXOYNRMMOGW-RMKNXTFCSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.26
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-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 5473688) is (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine is CN(C)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is SYUYXOYNRMMOGW-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H15N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3/b9-6+.
What are the key properties of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.26, 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-phenylprop-2-en-1-amine is sourced from PubChem (CID 5473688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).