2-amino-2-methyl-4-pentan-2-yloxybutanenitrile

C10H20N2O — CID 102983514

IUPAC2-amino-2-methyl-4-pentan-2-yloxybutanenitrile
SMILESCCCC(C)OCCC(C)(N)C#N
InChIInChI=1S/C10H20N2O/c1-4-5-9(2)13-7-6-10(3,12)8-11/h9H,4-7,12H2,1-3H3
InChIKeyYDWRGZJVXPGSBR-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds6

About 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile

2-amino-2-methyl-4-pentan-2-yloxybutanenitrile (PubChem CID 102983514) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-pentan-2-yloxybutanenitrile
PubChem CID102983514
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-2-methyl-4-pentan-2-yloxybutanenitrile
SMILESCCCC(C)OCCC(C)(N)C#N
InChIInChI=1S/C10H20N2O/c1-4-5-9(2)13-7-6-10(3,12)8-11/h9H,4-7,12H2,1-3H3
InChIKeyYDWRGZJVXPGSBR-UHFFFAOYSA-N
XLogP1.82
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-pentan-2-yloxybutanenitrile?
The IUPAC name of 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile (CID 102983514) is 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile is CCCC(C)OCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile?
The InChIKey is YDWRGZJVXPGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(2)13-7-6-10(3,12)8-11/h9H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-pentan-2-yloxybutanenitrile?
2-amino-2-methyl-4-pentan-2-yloxybutanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.82, 6 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-pentan-2-yloxybutanenitrile is sourced from PubChem (CID 102983514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).