3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile

C15H22N2O2 — CID 103179680

IUPAC3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
SMILESCOCCCOCCN(CCC#N)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-18-12-6-13-19-14-11-17(10-5-9-16)15-7-3-2-4-8-15/h2-4,7-8H,5-6,10-14H2,1H3
InChIKeyNNEFSAPFVIGBDK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.46
Rot. Bonds10

About 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile

3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile (PubChem CID 103179680) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile.

Molecular Properties

Compound Name3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
PubChem CID103179680
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
SMILESCOCCCOCCN(CCC#N)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-18-12-6-13-19-14-11-17(10-5-9-16)15-7-3-2-4-8-15/h2-4,7-8H,5-6,10-14H2,1H3
InChIKeyNNEFSAPFVIGBDK-UHFFFAOYSA-N
XLogP2.46
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
CID 55218453
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
3-(N-pent-3-ynylanilino)propanenitrile
CID 104807671
3-[N-(3-ethylsulfanylpropyl)anilino]propanenitrile
CID 113473568
3-[4-[(1R)-1-aminoethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 55191198
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
3-[N-(9-bromononyl)anilino]propanenitrile
CID 105343582
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile?
The IUPAC name of 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile (CID 103179680) is 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile.
What is the SMILES notation for 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile?
The canonical SMILES for 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile is COCCCOCCN(CCC#N)c1ccccc1.
What is the InChIKey of 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile?
The InChIKey is NNEFSAPFVIGBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-12-6-13-19-14-11-17(10-5-9-16)15-7-3-2-4-8-15/h2-4,7-8H,5-6,10-14H2,1H3.
What are the key properties of 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile?
3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile is sourced from PubChem (CID 103179680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).