N-tert-butyl-4-prop-1-enylaniline

C13H19N — CID 145066501

IUPACN-tert-butyl-4-prop-1-enylaniline
SMILESCC=Cc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C13H19N/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h5-10,14H,1-4H3
InChIKeyCWQSVVGBLTUXOL-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.93
Rot. Bonds2

About N-tert-butyl-4-prop-1-enylaniline

N-tert-butyl-4-prop-1-enylaniline (PubChem CID 145066501) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-tert-butyl-4-prop-1-enylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-prop-1-enylaniline
PubChem CID145066501
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-tert-butyl-4-prop-1-enylaniline
SMILESCC=Cc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C13H19N/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h5-10,14H,1-4H3
InChIKeyCWQSVVGBLTUXOL-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-prop-1-enylaniline?
The IUPAC name of N-tert-butyl-4-prop-1-enylaniline (CID 145066501) is N-tert-butyl-4-prop-1-enylaniline.
What is the SMILES notation for N-tert-butyl-4-prop-1-enylaniline?
The canonical SMILES for N-tert-butyl-4-prop-1-enylaniline is CC=Cc1ccc(NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-prop-1-enylaniline?
The InChIKey is CWQSVVGBLTUXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-6-11-7-9-12(10-8-11)14-13(2,3)4/h5-10,14H,1-4H3.
What are the key properties of N-tert-butyl-4-prop-1-enylaniline?
N-tert-butyl-4-prop-1-enylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-prop-1-enylaniline is sourced from PubChem (CID 145066501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).