2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile

C12H25N3O — CID 64727930

IUPAC2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
SMILESCCOCCN(CC)C(C)CC(C)(N)C#N
InChIInChI=1S/C12H25N3O/c1-5-15(7-8-16-6-2)11(3)9-12(4,14)10-13/h11H,5-9,14H2,1-4H3
InChIKeySLLOKBBBFLZSTL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.36
Rot. Bonds8

About 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile

2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile (PubChem CID 64727930) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
PubChem CID64727930
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
SMILESCCOCCN(CC)C(C)CC(C)(N)C#N
InChIInChI=1S/C12H25N3O/c1-5-15(7-8-16-6-2)11(3)9-12(4,14)10-13/h11H,5-9,14H2,1-4H3
InChIKeySLLOKBBBFLZSTL-UHFFFAOYSA-N
XLogP1.36
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile (CID 64727930) is 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile is CCOCCN(CC)C(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile?
The InChIKey is SLLOKBBBFLZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-15(7-8-16-6-2)11(3)9-12(4,14)10-13/h11H,5-9,14H2,1-4H3.
What are the key properties of 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile?
2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile has a molecular weight of 227.35 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile is sourced from PubChem (CID 64727930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).