N-but-1-enyl-N-methylaniline

C11H15N — CID 54394992

IUPACN-but-1-enyl-N-methylaniline
SMILESCCC=CN(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h4-10H,3H2,1-2H3
InChIKeyVJHSRDIFIFLHJC-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.05
Rot. Bonds3

About N-but-1-enyl-N-methylaniline

N-but-1-enyl-N-methylaniline (PubChem CID 54394992) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-but-1-enyl-N-methylaniline.

Molecular Properties

Compound NameN-but-1-enyl-N-methylaniline
PubChem CID54394992
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-but-1-enyl-N-methylaniline
SMILESCCC=CN(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h4-10H,3H2,1-2H3
InChIKeyVJHSRDIFIFLHJC-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-N-methylaniline?
The IUPAC name of N-but-1-enyl-N-methylaniline (CID 54394992) is N-but-1-enyl-N-methylaniline.
What is the SMILES notation for N-but-1-enyl-N-methylaniline?
The canonical SMILES for N-but-1-enyl-N-methylaniline is CCC=CN(C)c1ccccc1.
What is the InChIKey of N-but-1-enyl-N-methylaniline?
The InChIKey is VJHSRDIFIFLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h4-10H,3H2,1-2H3.
What are the key properties of N-but-1-enyl-N-methylaniline?
N-but-1-enyl-N-methylaniline has a molecular weight of 161.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-N-methylaniline is sourced from PubChem (CID 54394992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).