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

C16H23N3O — CID 103699184

IUPAC5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNCC(C)N(C)C2CC2)cc1C#N
InChIInChI=1S/C16H23N3O/c1-12(19(2)15-5-6-15)10-18-11-13-4-7-16(20-3)14(8-13)9-17/h4,7-8,12,15,18H,5-6,10-11H2,1-3H3
InChIKeyZJUWEYSUWALIQC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.14
Rot. Bonds7

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

5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile (PubChem CID 103699184) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
PubChem CID103699184
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNCC(C)N(C)C2CC2)cc1C#N
InChIInChI=1S/C16H23N3O/c1-12(19(2)15-5-6-15)10-18-11-13-4-7-16(20-3)14(8-13)9-17/h4,7-8,12,15,18H,5-6,10-11H2,1-3H3
InChIKeyZJUWEYSUWALIQC-UHFFFAOYSA-N
XLogP2.14
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxybenzonitrile
CID 113243204
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 103648407
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
CID 65343972
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
4-[3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenoxy]butanenitrile
CID 119123544
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile (CID 103699184) is 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile is COc1ccc(CNCC(C)N(C)C2CC2)cc1C#N.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is ZJUWEYSUWALIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(19(2)15-5-6-15)10-18-11-13-4-7-16(20-3)14(8-13)9-17/h4,7-8,12,15,18H,5-6,10-11H2,1-3H3.
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile?
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 103699184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).