N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline

C13H19N — CID 166975853

IUPACN,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-8(2)12-7-13(14-6)11(5)9(3)10(12)4/h7,14H,1H2,2-6H3
InChIKeyWCPXAKMQGRZRGZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds2

About N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline

N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline (PubChem CID 166975853) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline.

Molecular Properties

Compound NameN,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline
PubChem CID166975853
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC)c(C)c(C)c1C
InChIInChI=1S/C13H19N/c1-8(2)12-7-13(14-6)11(5)9(3)10(12)4/h7,14H,1H2,2-6H3
InChIKeyWCPXAKMQGRZRGZ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline?
The IUPAC name of N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline (CID 166975853) is N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline.
What is the SMILES notation for N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline?
The canonical SMILES for N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline is C=C(C)c1cc(NC)c(C)c(C)c1C.
What is the InChIKey of N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline?
The InChIKey is WCPXAKMQGRZRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-8(2)12-7-13(14-6)11(5)9(3)10(12)4/h7,14H,1H2,2-6H3.
What are the key properties of N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline?
N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline is sourced from PubChem (CID 166975853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).