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

C10H21N3O — CID 63692096

IUPAC2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
SMILESCCOCCN(CC)CCC(N)C#N
InChIInChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)6-5-10(12)9-11/h10H,3-8,12H2,1-2H3
InChIKeyPNMOMLWHIKVEBI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.59
Rot. Bonds8

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

2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile (PubChem CID 63692096) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
PubChem CID63692096
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
SMILESCCOCCN(CC)CCC(N)C#N
InChIInChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)6-5-10(12)9-11/h10H,3-8,12H2,1-2H3
InChIKeyPNMOMLWHIKVEBI-UHFFFAOYSA-N
XLogP0.59
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.59
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]butanenitrile?
The IUPAC name of 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile (CID 63692096) is 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile.
What is the SMILES notation for 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
The canonical SMILES for 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile is CCOCCN(CC)CCC(N)C#N.
What is the InChIKey of 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
The InChIKey is PNMOMLWHIKVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)6-5-10(12)9-11/h10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile has a molecular weight of 199.30 g/mol, XLogP of 0.59, 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]butanenitrile is sourced from PubChem (CID 63692096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).