2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile

C12H23N3O — CID 82748408

IUPAC2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
SMILESCC1OCCC1N(C)CCCC(C)(N)C#N
InChIInChI=1S/C12H23N3O/c1-10-11(5-8-16-10)15(3)7-4-6-12(2,14)9-13/h10-11H,4-8,14H2,1-3H3
InChIKeyAUFACHRIULWHSJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile

2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile (PubChem CID 82748408) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
PubChem CID82748408
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
SMILESCC1OCCC1N(C)CCCC(C)(N)C#N
InChIInChI=1S/C12H23N3O/c1-10-11(5-8-16-10)15(3)7-4-6-12(2,14)9-13/h10-11H,4-8,14H2,1-3H3
InChIKeyAUFACHRIULWHSJ-UHFFFAOYSA-N
XLogP1.12
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile (CID 82748408) is 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile is CC1OCCC1N(C)CCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile?
The InChIKey is AUFACHRIULWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-11(5-8-16-10)15(3)7-4-6-12(2,14)9-13/h10-11H,4-8,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile?
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile has a molecular weight of 225.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 82748408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).