2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile

C17H27N3 — CID 64698769

IUPAC2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C17H27N3/c1-6-19-17(5,13-18)12-15(4)20(7-2)16-11-9-8-10-14(16)3/h8-11,15,19H,6-7,12H2,1-5H3
InChIKeyHVYCETMSOCUXEH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.49
Rot. Bonds7

About 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile

2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile (PubChem CID 64698769) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
PubChem CID64698769
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C17H27N3/c1-6-19-17(5,13-18)12-15(4)20(7-2)16-11-9-8-10-14(16)3/h8-11,15,19H,6-7,12H2,1-5H3
InChIKeyHVYCETMSOCUXEH-UHFFFAOYSA-N
XLogP3.49
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile (CID 64698769) is 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(CC)c1ccccc1C.
What is the InChIKey of 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The InChIKey is HVYCETMSOCUXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-19-17(5,13-18)12-15(4)20(7-2)16-11-9-8-10-14(16)3/h8-11,15,19H,6-7,12H2,1-5H3.
What are the key properties of 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile has a molecular weight of 273.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile is sourced from PubChem (CID 64698769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).