3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile

C10H18N2O — CID 63286745

IUPAC3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(CCC#N)CCOC
InChIInChI=1S/C10H18N2O/c1-10(2)9-12(6-4-5-11)7-8-13-3/h1,4,6-9H2,2-3H3
InChIKeyVBOUSRWCGVQNFR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.42
Rot. Bonds7

About 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile

3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile (PubChem CID 63286745) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
PubChem CID63286745
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(CCC#N)CCOC
InChIInChI=1S/C10H18N2O/c1-10(2)9-12(6-4-5-11)7-8-13-3/h1,4,6-9H2,2-3H3
InChIKeyVBOUSRWCGVQNFR-UHFFFAOYSA-N
XLogP1.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
CID 103070598
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile (CID 63286745) is 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile is C=C(C)CN(CCC#N)CCOC.
What is the InChIKey of 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile?
The InChIKey is VBOUSRWCGVQNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)9-12(6-4-5-11)7-8-13-3/h1,4,6-9H2,2-3H3.
What are the key properties of 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile?
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile is sourced from PubChem (CID 63286745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).