5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile

C11H20N2O — CID 114467775

IUPAC5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
SMILESC=C(C)COCCNCCCCC#N
InChIInChI=1S/C11H20N2O/c1-11(2)10-14-9-8-13-7-5-3-4-6-12/h13H,1,3-5,7-10H2,2H3
InChIKeyMLZSGELMHWFTPN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.86
Rot. Bonds9

About 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile

5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile (PubChem CID 114467775) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile.

Molecular Properties

Compound Name5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
PubChem CID114467775
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
SMILESC=C(C)COCCNCCCCC#N
InChIInChI=1S/C11H20N2O/c1-11(2)10-14-9-8-13-7-5-3-4-6-12/h13H,1,3-5,7-10H2,2H3
InChIKeyMLZSGELMHWFTPN-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.86
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

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
N-[2-(2-methylprop-2-enoxy)ethyl]nonan-1-amine
CID 113589390
N-[2-(2-methylprop-2-enoxy)ethyl]octan-1-amine
CID 114465724
N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
CID 114465848
N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465949
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-1-amine
CID 114465978
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
4-[2-(2-Methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467175
2-Methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
CID 114467186
2-[2-(2-Methylprop-2-enoxy)ethylamino]propanenitrile
CID 114467286
2,2-Dimethyl-4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467375

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile?
The IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile (CID 114467775) is 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile.
What is the SMILES notation for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile?
The canonical SMILES for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile is C=C(C)COCCNCCCCC#N.
What is the InChIKey of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile?
The InChIKey is MLZSGELMHWFTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2)10-14-9-8-13-7-5-3-4-6-12/h13H,1,3-5,7-10H2,2H3.
What are the key properties of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile?
5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile is sourced from PubChem (CID 114467775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).