2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile

C10H18N2O — CID 65479966

IUPAC2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile
SMILESCCOCCNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2O/c1-2-13-8-7-12-9-10(3-4-10)5-6-11/h12H,2-5,7-9H2,1H3
InChIKeyVPOAAOVGRYVNDJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.31
Rot. Bonds7

About 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65479966) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65479966
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile
SMILESCCOCCNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2O/c1-2-13-8-7-12-9-10(3-4-10)5-6-11/h12H,2-5,7-9H2,1H3
InChIKeyVPOAAOVGRYVNDJ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile (CID 65479966) is 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile is CCOCCNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is VPOAAOVGRYVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-13-8-7-12-9-10(3-4-10)5-6-11/h12H,2-5,7-9H2,1H3.
What are the key properties of 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyethylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65479966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).