4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane

C13H21N — CID 162180413

IUPAC4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane
SMILESCC.[2H]CC(=Cc1ccc(NC)cc1)C[2H]
InChIInChI=1S/C11H15N.C2H6/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-2/h4-8,12H,1-3H3;1-2H3/i1D,2D;
InChIKeyZOYDADIEKCDRGH-PRDLOPAJSA-N
MW193.33 g/mol
LogP4.18
Rot. Bonds4

About 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane

4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane (PubChem CID 162180413) has the molecular formula C13H21N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane.

Molecular Properties

Compound Name4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane
PubChem CID162180413
Molecular FormulaC13H21N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane
SMILESCC.[2H]CC(=Cc1ccc(NC)cc1)C[2H]
InChIInChI=1S/C11H15N.C2H6/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-2/h4-8,12H,1-3H3;1-2H3/i1D,2D;
InChIKeyZOYDADIEKCDRGH-PRDLOPAJSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane?
The IUPAC name of 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane (CID 162180413) is 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane.
What is the SMILES notation for 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane?
The canonical SMILES for 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane is CC.[2H]CC(=Cc1ccc(NC)cc1)C[2H].
What is the InChIKey of 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane?
The InChIKey is ZOYDADIEKCDRGH-PRDLOPAJSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-2/h4-8,12H,1-3H3;1-2H3/i1D,2D;.
What are the key properties of 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane?
4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane has a molecular weight of 193.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane is sourced from PubChem (CID 162180413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).