4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile

C16H25N3 — CID 64698950

IUPAC4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCN(c1ccccc1C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C16H25N3/c1-6-19(15-10-8-7-9-13(15)2)14(3)11-16(4,12-17)18-5/h7-10,14,18H,6,11H2,1-5H3
InChIKeyQMMDRXQEJKTVET-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.10
Rot. Bonds6

About 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile

4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64698950) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64698950
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCN(c1ccccc1C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C16H25N3/c1-6-19(15-10-8-7-9-13(15)2)14(3)11-16(4,12-17)18-5/h7-10,14,18H,6,11H2,1-5H3
InChIKeyQMMDRXQEJKTVET-UHFFFAOYSA-N
XLogP3.10
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile (CID 64698950) is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile is CCN(c1ccccc1C)C(C)CC(C)(C#N)NC.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is QMMDRXQEJKTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-19(15-10-8-7-9-13(15)2)14(3)11-16(4,12-17)18-5/h7-10,14,18H,6,11H2,1-5H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile?
4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 259.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64698950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).