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

C15H23N3 — CID 64699137

IUPAC2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
SMILESCCN(c1ccccc1C)C(C)CC(C)(N)C#N
InChIInChI=1S/C15H23N3/c1-5-18(13(3)10-15(4,17)11-16)14-9-7-6-8-12(14)2/h6-9,13H,5,10,17H2,1-4H3
InChIKeyRCQWHHMBFWSNSX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.84
Rot. Bonds5

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

2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile (PubChem CID 64699137) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
PubChem CID64699137
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
SMILESCCN(c1ccccc1C)C(C)CC(C)(N)C#N
InChIInChI=1S/C15H23N3/c1-5-18(13(3)10-15(4,17)11-16)14-9-7-6-8-12(14)2/h6-9,13H,5,10,17H2,1-4H3
InChIKeyRCQWHHMBFWSNSX-UHFFFAOYSA-N
XLogP2.84
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile (CID 64699137) is 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile is CCN(c1ccccc1C)C(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
The InChIKey is RCQWHHMBFWSNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-18(13(3)10-15(4,17)11-16)14-9-7-6-8-12(14)2/h6-9,13H,5,10,17H2,1-4H3.
What are the key properties of 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile?
2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile is sourced from PubChem (CID 64699137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).