2-amino-2-methyl-4-propoxypentanenitrile

C9H18N2O — CID 64726412

IUPAC2-amino-2-methyl-4-propoxypentanenitrile
SMILESCCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C9H18N2O/c1-4-5-12-8(2)6-9(3,11)7-10/h8H,4-6,11H2,1-3H3
InChIKeyMINHPUTXTGJSIK-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-2-methyl-4-propoxypentanenitrile

2-amino-2-methyl-4-propoxypentanenitrile (PubChem CID 64726412) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-2-methyl-4-propoxypentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-propoxypentanenitrile
PubChem CID64726412
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-2-methyl-4-propoxypentanenitrile
SMILESCCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C9H18N2O/c1-4-5-12-8(2)6-9(3,11)7-10/h8H,4-6,11H2,1-3H3
InChIKeyMINHPUTXTGJSIK-UHFFFAOYSA-N
XLogP1.43
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.43
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-propoxypentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-propoxypentanenitrile (CID 64726412) is 2-amino-2-methyl-4-propoxypentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-propoxypentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-propoxypentanenitrile is CCCOC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-propoxypentanenitrile?
The InChIKey is MINHPUTXTGJSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-12-8(2)6-9(3,11)7-10/h8H,4-6,11H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-propoxypentanenitrile?
2-amino-2-methyl-4-propoxypentanenitrile has a molecular weight of 170.26 g/mol, XLogP of 1.43, 5 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-propoxypentanenitrile is sourced from PubChem (CID 64726412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).