2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile

C8H14N2O — CID 114467705

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile
SMILESC=C(C)COCCNCC#N
InChIInChI=1S/C8H14N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,4-7H2,2H3
InChIKeyKWGAVGLQPGFWHJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile

2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile (PubChem CID 114467705) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile
PubChem CID114467705
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile
SMILESC=C(C)COCCNCC#N
InChIInChI=1S/C8H14N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,4-7H2,2H3
InChIKeyKWGAVGLQPGFWHJ-UHFFFAOYSA-N
XLogP0.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
CID 103367609
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 155624962
N-methyl-2-(2-methylprop-2-enoxy)ethanamine;hydrochloride
CID 173644536
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-ethyl-2-(3-methylbut-2-enoxy)ethanamine
CID 62336668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile (CID 114467705) is 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile is C=C(C)COCCNCC#N.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile?
The InChIKey is KWGAVGLQPGFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,4-7H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile?
2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylamino]acetonitrile is sourced from PubChem (CID 114467705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).