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

C11H21N3O — CID 82749419

IUPAC2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
SMILESCN(CCCC(C)(N)C#N)C1CCOC1
InChIInChI=1S/C11H21N3O/c1-11(13,9-12)5-3-6-14(2)10-4-7-15-8-10/h10H,3-8,13H2,1-2H3
InChIKeyGHVADLUQLPLWSY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.73
Rot. Bonds5

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

2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile (PubChem CID 82749419) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
PubChem CID82749419
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
SMILESCN(CCCC(C)(N)C#N)C1CCOC1
InChIInChI=1S/C11H21N3O/c1-11(13,9-12)5-3-6-14(2)10-4-7-15-8-10/h10H,3-8,13H2,1-2H3
InChIKeyGHVADLUQLPLWSY-UHFFFAOYSA-N
XLogP0.73
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
CID 115773014
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 63711953
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82749204

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile (CID 82749419) is 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile is CN(CCCC(C)(N)C#N)C1CCOC1.
What is the InChIKey of 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile?
The InChIKey is GHVADLUQLPLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(13,9-12)5-3-6-14(2)10-4-7-15-8-10/h10H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile?
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.73, 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(oxolan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 82749419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).