2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile

C10H18N2O — CID 114467186

IUPAC2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
SMILESC=C(C)COCCNCC(C)C#N
InChIInChI=1S/C10H18N2O/c1-9(2)8-13-5-4-12-7-10(3)6-11/h10,12H,1,4-5,7-8H2,2-3H3
InChIKeyNDWFLOKMNRJEPC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.33
Rot. Bonds7

About 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile

2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile (PubChem CID 114467186) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
PubChem CID114467186
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
SMILESC=C(C)COCCNCC(C)C#N
InChIInChI=1S/C10H18N2O/c1-9(2)8-13-5-4-12-7-10(3)6-11/h10,12H,1,4-5,7-8H2,2-3H3
InChIKeyNDWFLOKMNRJEPC-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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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Related Compounds

3,3,3-Trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
CID 103367609
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
2-methyl-N-(2-prop-2-enoxyethyl)propan-1-amine
CID 62442093
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 106452619
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
CID 106452620
N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442860
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465748
N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine
CID 114465895
N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465949
3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114466022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile (CID 114467186) is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile is C=C(C)COCCNCC(C)C#N.
What is the InChIKey of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile?
The InChIKey is NDWFLOKMNRJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)8-13-5-4-12-7-10(3)6-11/h10,12H,1,4-5,7-8H2,2-3H3.
What are the key properties of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile?
2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile is sourced from PubChem (CID 114467186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).