3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile

C12H23N3O — CID 103070596

IUPAC3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
SMILESC=C(CNCC)CN(CCC#N)CCOC
InChIInChI=1S/C12H23N3O/c1-4-14-10-12(2)11-15(7-5-6-13)8-9-16-3/h14H,2,4-5,7-11H2,1,3H3
InChIKeyTZDMNAHFOWAPCF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.01
Rot. Bonds10

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

3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile (PubChem CID 103070596) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
PubChem CID103070596
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
SMILESC=C(CNCC)CN(CCC#N)CCOC
InChIInChI=1S/C12H23N3O/c1-4-14-10-12(2)11-15(7-5-6-13)8-9-16-3/h14H,2,4-5,7-11H2,1,3H3
InChIKeyTZDMNAHFOWAPCF-UHFFFAOYSA-N
XLogP1.01
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62842916
3-[2-Methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile
CID 63286067
3-[2-Methoxyethyl-[3-(propylamino)propyl]amino]propanenitrile
CID 63286156
3-[3-(Ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63286199
3-[2-Methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
3-[2-Methoxyethyl-[2-methyl-3-(methylamino)propyl]amino]propanenitrile
CID 64231432
3-[[3-(Ethylamino)-2-methylpropyl]-(2-methoxyethyl)amino]propanenitrile
CID 64231657
3-[2-Methoxyethyl-[2-methyl-3-(propylamino)propyl]amino]propanenitrile
CID 64231879
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 79291679
N-[2-(2-aminoethoxy)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 79479139

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile (CID 103070596) is 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile is C=C(CNCC)CN(CCC#N)CCOC.
What is the InChIKey of 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is TZDMNAHFOWAPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-14-10-12(2)11-15(7-5-6-13)8-9-16-3/h14H,2,4-5,7-11H2,1,3H3.
What are the key properties of 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 225.34 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 103070596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).