2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile

C12H22N2O2 — CID 64727774

IUPAC2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
SMILESCOCCOC(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C12H22N2O2/c1-10(16-7-6-15-3)8-12(2,9-13)14-11-4-5-11/h10-11,14H,4-8H2,1-3H3
InChIKeyQHYLLDYTKLEUSU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds8

About 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile

2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile (PubChem CID 64727774) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
PubChem CID64727774
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
SMILESCOCCOC(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C12H22N2O2/c1-10(16-7-6-15-3)8-12(2,9-13)14-11-4-5-11/h10-11,14H,4-8H2,1-3H3
InChIKeyQHYLLDYTKLEUSU-UHFFFAOYSA-N
XLogP1.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile (CID 64727774) is 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile is COCCOC(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile?
The InChIKey is QHYLLDYTKLEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(16-7-6-15-3)8-12(2,9-13)14-11-4-5-11/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile?
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile has a molecular weight of 226.32 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64727774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).