2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile

C12H25N3O — CID 106803273

IUPAC2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
SMILESCCN(CCCC(N)(C#N)CC)CCOC
InChIInChI=1S/C12H25N3O/c1-4-12(14,11-13)7-6-8-15(5-2)9-10-16-3/h4-10,14H2,1-3H3
InChIKeyWVEXJGWHEOQUFD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.37
Rot. Bonds9

About 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile

2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile (PubChem CID 106803273) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
PubChem CID106803273
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
SMILESCCN(CCCC(N)(C#N)CC)CCOC
InChIInChI=1S/C12H25N3O/c1-4-12(14,11-13)7-6-8-15(5-2)9-10-16-3/h4-10,14H2,1-3H3
InChIKeyWVEXJGWHEOQUFD-UHFFFAOYSA-N
XLogP1.37
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
CID 106804965
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile (CID 106803273) is 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile is CCN(CCCC(N)(C#N)CC)CCOC.
What is the InChIKey of 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile?
The InChIKey is WVEXJGWHEOQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(14,11-13)7-6-8-15(5-2)9-10-16-3/h4-10,14H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile?
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile has a molecular weight of 227.35 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile is sourced from PubChem (CID 106803273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).