2-(2-methoxyethylamino)-2-methylhex-5-enenitrile

C10H18N2O — CID 104655938

IUPAC2-(2-methoxyethylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NCCOC
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(2,9-11)12-7-8-13-3/h4,12H,1,5-8H2,2-3H3
InChIKeyAINJDJHDEKIRQC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile

2-(2-methoxyethylamino)-2-methylhex-5-enenitrile (PubChem CID 104655938) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-methylhex-5-enenitrile
PubChem CID104655938
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2-methoxyethylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NCCOC
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(2,9-11)12-7-8-13-3/h4,12H,1,5-8H2,2-3H3
InChIKeyAINJDJHDEKIRQC-UHFFFAOYSA-N
XLogP1.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile?
The IUPAC name of 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile (CID 104655938) is 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile is C=CCCC(C)(C#N)NCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile?
The InChIKey is AINJDJHDEKIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-6-10(2,9-11)12-7-8-13-3/h4,12H,1,5-8H2,2-3H3.
What are the key properties of 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile?
2-(2-methoxyethylamino)-2-methylhex-5-enenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-methylhex-5-enenitrile is sourced from PubChem (CID 104655938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).