4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile

C10H18N2O — CID 114467175

IUPAC4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
SMILESC=C(C)COCCNCCCC#N
InChIInChI=1S/C10H18N2O/c1-10(2)9-13-8-7-12-6-4-3-5-11/h12H,1,3-4,6-9H2,2H3
InChIKeyBRDAVQBOQQUQER-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.47
Rot. Bonds8

About 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile

4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile (PubChem CID 114467175) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
PubChem CID114467175
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
SMILESC=C(C)COCCNCCCC#N
InChIInChI=1S/C10H18N2O/c1-10(2)9-13-8-7-12-6-4-3-5-11/h12H,1,3-4,6-9H2,2H3
InChIKeyBRDAVQBOQQUQER-UHFFFAOYSA-N
XLogP1.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

3,3,3-Trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
CID 103367609
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
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]pentan-1-amine
CID 114465848
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
2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466732
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-en-1-amine
CID 114467119
2-Methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
CID 114467186

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile (CID 114467175) is 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile is C=C(C)COCCNCCCC#N.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile?
The InChIKey is BRDAVQBOQQUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)9-13-8-7-12-6-4-3-5-11/h12H,1,3-4,6-9H2,2H3.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile?
4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile is sourced from PubChem (CID 114467175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).