2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile

C10H20N2O — CID 64726569

IUPAC2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
SMILESCC(CC(C)(N)C#N)OC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(13-9(2,3)4)6-10(5,12)7-11/h8H,6,12H2,1-5H3
InChIKeyQGUBAZOMCABLGP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile

2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile (PubChem CID 64726569) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
PubChem CID64726569
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
SMILESCC(CC(C)(N)C#N)OC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(13-9(2,3)4)6-10(5,12)7-11/h8H,6,12H2,1-5H3
InChIKeyQGUBAZOMCABLGP-UHFFFAOYSA-N
XLogP1.82
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile (CID 64726569) is 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile is CC(CC(C)(N)C#N)OC(C)(C)C.
What is the InChIKey of 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The InChIKey is QGUBAZOMCABLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(13-9(2,3)4)6-10(5,12)7-11/h8H,6,12H2,1-5H3.
What are the key properties of 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile?
2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile is sourced from PubChem (CID 64726569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).