2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen

C11H27N3 — CID 142227700

IUPAC2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen
SMILESCC.CCCC(N)(C#N)CN(C)CC.[H][H]
InChIInChI=1S/C9H19N3.C2H6.H2/c1-4-6-9(11,7-10)8-12(3)5-2;1-2;/h4-6,8,11H2,1-3H3;1-2H3;1H
InChIKeyGZZVFBNYMUUCCK-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.23
Rot. Bonds5

About 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen

2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen (PubChem CID 142227700) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen
PubChem CID142227700
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen
SMILESCC.CCCC(N)(C#N)CN(C)CC.[H][H]
InChIInChI=1S/C9H19N3.C2H6.H2/c1-4-6-9(11,7-10)8-12(3)5-2;1-2;/h4-6,8,11H2,1-3H3;1-2H3;1H
InChIKeyGZZVFBNYMUUCCK-UHFFFAOYSA-N
XLogP2.23
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen?
The IUPAC name of 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen (CID 142227700) is 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen.
What is the SMILES notation for 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen?
The canonical SMILES for 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen is CC.CCCC(N)(C#N)CN(C)CC.[H][H].
What is the InChIKey of 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen?
The InChIKey is GZZVFBNYMUUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.C2H6.H2/c1-4-6-9(11,7-10)8-12(3)5-2;1-2;/h4-6,8,11H2,1-3H3;1-2H3;1H.
What are the key properties of 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen?
2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen has a molecular weight of 201.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen is sourced from PubChem (CID 142227700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).