5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile

C15H20N2O — CID 65344348

IUPAC5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCCN(Cc1ccc(OC)c(C#N)c1)C1CC1
InChIInChI=1S/C15H20N2O/c1-3-8-17(14-5-6-14)11-12-4-7-15(18-2)13(9-12)10-16/h4,7,9,14H,3,5-6,8,11H2,1-2H3
InChIKeyIEXMURIVLOYFPW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds6

About 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile

5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65344348) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65344348
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCCN(Cc1ccc(OC)c(C#N)c1)C1CC1
InChIInChI=1S/C15H20N2O/c1-3-8-17(14-5-6-14)11-12-4-7-15(18-2)13(9-12)10-16/h4,7,9,14H,3,5-6,8,11H2,1-2H3
InChIKeyIEXMURIVLOYFPW-UHFFFAOYSA-N
XLogP2.94
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[butyl(cyclopropyl)amino]methyl]-2-methoxybenzonitrile
CID 106788095
2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
CID 65343972
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
3-[(3-amino-4-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996361
4-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788723
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
CID 106788101

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile (CID 65344348) is 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile is CCCN(Cc1ccc(OC)c(C#N)c1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is IEXMURIVLOYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-8-17(14-5-6-14)11-12-4-7-15(18-2)13(9-12)10-16/h4,7,9,14H,3,5-6,8,11H2,1-2H3.
What are the key properties of 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile?
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).