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

C12H22N2O2 — CID 63619038

IUPAC3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
SMILESCCOC(CN(CCC#N)C1CC1)OCC
InChIInChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14(9-5-8-13)11-6-7-11/h11-12H,3-7,9-10H2,1-2H3
InChIKeyMFFGYKXYHSLLNY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.76
Rot. Bonds9

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

3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile (PubChem CID 63619038) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
PubChem CID63619038
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
SMILESCCOC(CN(CCC#N)C1CC1)OCC
InChIInChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14(9-5-8-13)11-6-7-11/h11-12H,3-7,9-10H2,1-2H3
InChIKeyMFFGYKXYHSLLNY-UHFFFAOYSA-N
XLogP1.76
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.76
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-[2,2-diethoxyethyl(methyl)amino]propanenitrile
CID 63617666
3-[(4-aminocyclohexyl)-(2-methylpropyl)amino]propanenitrile
CID 79468498
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
3-[(3-bromo-2-hydroxypropyl)-cyclopropylamino]propanenitrile
CID 112561465
3-[[3-(tert-butylamino)-2-hydroxypropyl]-cyclopropylamino]propanenitrile
CID 115475121
N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine
CID 63616998
3-[3,3-diethoxypropyl(methyl)amino]propanenitrile
CID 63628600
3-[2-methylpropyl-(4-oxocyclohexyl)amino]propanenitrile
CID 114762152
3-[cyclopropyl(2-oxoethyl)amino]propanenitrile
CID 62037220
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
CID 115666797

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile (CID 63619038) is 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile is CCOC(CN(CCC#N)C1CC1)OCC.
What is the InChIKey of 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile?
The InChIKey is MFFGYKXYHSLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14(9-5-8-13)11-6-7-11/h11-12H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile?
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile has a molecular weight of 226.32 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63619038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).