2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile

C12H20N2O — CID 115903694

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESC=C(C)COCCNC1CCCC1C#N
InChIInChI=1S/C12H20N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-7,9H2,2H3
InChIKeyADGRBVHTIBHYLL-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile

2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 115903694) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile
PubChem CID115903694
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESC=C(C)COCCNC1CCCC1C#N
InChIInChI=1S/C12H20N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-7,9H2,2H3
InChIKeyADGRBVHTIBHYLL-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
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

2-(1-Methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62741099
2-(2-Ethoxyethylamino)cyclopentane-1-carbonitrile
CID 62741311
2-(2-Methoxyethylamino)cyclopentane-1-carbonitrile
CID 62741832
2-(2-Butoxyethylamino)cyclopentane-1-carbonitrile
CID 62742064
2-[2-(3-Methylbutoxy)ethylamino]cyclopentane-1-carbonitrile
CID 62742469
2-(1-Ethoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62742629
2-(2-But-3-enoxyethylamino)cyclopentane-1-carbonitrile
CID 103917888
2-[(1-Ethoxy-3-methylbutan-2-yl)amino]cyclopentane-1-carbonitrile
CID 105807243
2-[2-[2-(Dimethylamino)ethoxy]ethylamino]cyclopentane-1-carbonitrile
CID 105911559
2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 106662846
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 113589143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile (CID 115903694) is 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile is C=C(C)COCCNC1CCCC1C#N.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is ADGRBVHTIBHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-7,9H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile?
2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.86, 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]cyclopentane-1-carbonitrile is sourced from PubChem (CID 115903694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).