2-[(E)-but-1-enyl]-N,5-dimethylaniline

C12H17N — CID 170285735

IUPAC2-[(E)-but-1-enyl]-N,5-dimethylaniline
SMILESCC/C=C/c1ccc(C)cc1NC
InChIInChI=1S/C12H17N/c1-4-5-6-11-8-7-10(2)9-12(11)13-3/h5-9,13H,4H2,1-3H3/b6-5+
InChIKeySYZMVXAGOOKILK-AATRIKPKSA-N
MW175.27 g/mol
LogP3.46
Rot. Bonds3

About 2-[(E)-but-1-enyl]-N,5-dimethylaniline

2-[(E)-but-1-enyl]-N,5-dimethylaniline (PubChem CID 170285735) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-N,5-dimethylaniline.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-N,5-dimethylaniline
PubChem CID170285735
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-[(E)-but-1-enyl]-N,5-dimethylaniline
SMILESCC/C=C/c1ccc(C)cc1NC
InChIInChI=1S/C12H17N/c1-4-5-6-11-8-7-10(2)9-12(11)13-3/h5-9,13H,4H2,1-3H3/b6-5+
InChIKeySYZMVXAGOOKILK-AATRIKPKSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-N,5-dimethylaniline?
The IUPAC name of 2-[(E)-but-1-enyl]-N,5-dimethylaniline (CID 170285735) is 2-[(E)-but-1-enyl]-N,5-dimethylaniline.
What is the SMILES notation for 2-[(E)-but-1-enyl]-N,5-dimethylaniline?
The canonical SMILES for 2-[(E)-but-1-enyl]-N,5-dimethylaniline is CC/C=C/c1ccc(C)cc1NC.
What is the InChIKey of 2-[(E)-but-1-enyl]-N,5-dimethylaniline?
The InChIKey is SYZMVXAGOOKILK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H17N/c1-4-5-6-11-8-7-10(2)9-12(11)13-3/h5-9,13H,4H2,1-3H3/b6-5+.
What are the key properties of 2-[(E)-but-1-enyl]-N,5-dimethylaniline?
2-[(E)-but-1-enyl]-N,5-dimethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-N,5-dimethylaniline is sourced from PubChem (CID 170285735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).