3-[2,2-diethoxyethyl(methyl)amino]propanenitrile

C10H20N2O2 — CID 63617666

IUPAC3-[2,2-diethoxyethyl(methyl)amino]propanenitrile
SMILESCCOC(CN(C)CCC#N)OCC
InChIInChI=1S/C10H20N2O2/c1-4-13-10(14-5-2)9-12(3)8-6-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyLYASPYDTIRFKNP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.23
Rot. Bonds8

About 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile

3-[2,2-diethoxyethyl(methyl)amino]propanenitrile (PubChem CID 63617666) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2,2-diethoxyethyl(methyl)amino]propanenitrile
PubChem CID63617666
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[2,2-diethoxyethyl(methyl)amino]propanenitrile
SMILESCCOC(CN(C)CCC#N)OCC
InChIInChI=1S/C10H20N2O2/c1-4-13-10(14-5-2)9-12(3)8-6-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyLYASPYDTIRFKNP-UHFFFAOYSA-N
XLogP1.23
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[3,3-diethoxypropyl(methyl)amino]propanenitrile
CID 63628600
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
CID 63619038
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
CID 63619021
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604
3-[4-[2-cyanoethyl(methyl)amino]butyl-methylamino]propanenitrile
CID 71396739
3-[[2-(bromomethyl)-3-methylbutyl]-methylamino]propanenitrile
CID 65011723
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857
2-amino-3-[2-cyanoethyl(methyl)amino]propanoic acid
CID 65444022
3-[N-(3,3-diethoxypropyl)anilino]propanenitrile
CID 63628601
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile (CID 63617666) is 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile is CCOC(CN(C)CCC#N)OCC.
What is the InChIKey of 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile?
The InChIKey is LYASPYDTIRFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-13-10(14-5-2)9-12(3)8-6-7-11/h10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile?
3-[2,2-diethoxyethyl(methyl)amino]propanenitrile has a molecular weight of 200.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-diethoxyethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 63617666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).