2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile

C12H20N2O — CID 114467714

IUPAC2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESC=C(C)COCCNCC1(CC#N)CC1
InChIInChI=1S/C12H20N2O/c1-11(2)9-15-8-7-14-10-12(3-4-12)5-6-13/h14H,1,3-5,7-10H2,2H3
InChIKeySGYJEPKCFJZHMG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds8

About 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 114467714) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile
PubChem CID114467714
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESC=C(C)COCCNCC1(CC#N)CC1
InChIInChI=1S/C12H20N2O/c1-11(2)9-15-8-7-14-10-12(3-4-12)5-6-13/h14H,1,3-5,7-10H2,2H3
InChIKeySGYJEPKCFJZHMG-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[(2-Ethoxyethylamino)methyl]cyclopropyl]acetonitrile
CID 65479966
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
4-[2-(2-Methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467175
2,2-Dimethyl-4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467375
2,2-Dimethyl-5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
CID 114467504
5-[2-(2-Methylprop-2-enoxy)ethylamino]pentanenitrile
CID 114467775
4,4-Dimethyl-5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
CID 115699170
1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894049

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile (CID 114467714) is 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile is C=C(C)COCCNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is SGYJEPKCFJZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)9-15-8-7-14-10-12(3-4-12)5-6-13/h14H,1,3-5,7-10H2,2H3.
What are the key properties of 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 114467714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).