2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile

C12H25N3O — CID 81061824

IUPAC2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile
SMILESCCNC(C)(C#N)CN(C)CCOC(C)C
InChIInChI=1S/C12H25N3O/c1-6-14-12(4,9-13)10-15(5)7-8-16-11(2)3/h11,14H,6-8,10H2,1-5H3
InChIKeyOYPJNELBZUTONY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.23
Rot. Bonds8

About 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile

2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile (PubChem CID 81061824) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile
PubChem CID81061824
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile
SMILESCCNC(C)(C#N)CN(C)CCOC(C)C
InChIInChI=1S/C12H25N3O/c1-6-14-12(4,9-13)10-15(5)7-8-16-11(2)3/h11,14H,6-8,10H2,1-5H3
InChIKeyOYPJNELBZUTONY-UHFFFAOYSA-N
XLogP1.23
TPSA48.29 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile (CID 81061824) is 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile is CCNC(C)(C#N)CN(C)CCOC(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile?
The InChIKey is OYPJNELBZUTONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-14-12(4,9-13)10-15(5)7-8-16-11(2)3/h11,14H,6-8,10H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile?
2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile has a molecular weight of 227.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile is sourced from PubChem (CID 81061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).