3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile

C15H18N4 — CID 62177687

IUPAC3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
SMILESCNc1nc2ccccc2cc1CN(C)CCC#N
InChIInChI=1S/C15H18N4/c1-17-15-13(11-19(2)9-5-8-16)10-12-6-3-4-7-14(12)18-15/h3-4,6-7,10H,5,9,11H2,1-2H3,(H,17,18)
InChIKeyNILZLCJEFMNLOV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.62
Rot. Bonds5

About 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile

3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile (PubChem CID 62177687) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
PubChem CID62177687
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
SMILESCNc1nc2ccccc2cc1CN(C)CCC#N
InChIInChI=1S/C15H18N4/c1-17-15-13(11-19(2)9-5-8-16)10-12-6-3-4-7-14(12)18-15/h3-4,6-7,10H,5,9,11H2,1-2H3,(H,17,18)
InChIKeyNILZLCJEFMNLOV-UHFFFAOYSA-N
XLogP2.62
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177689
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]butanenitrile
CID 63223887
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
CID 81074205
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
CID 62182225
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79235950
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664442
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methylpentan-1-amine
CID 62244445
2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
CID 62241968
N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
CID 115987340
2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
CID 62183803
N-[(2-hydrazinylquinolin-3-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008100

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile (CID 62177687) is 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile is CNc1nc2ccccc2cc1CN(C)CCC#N.
What is the InChIKey of 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The InChIKey is NILZLCJEFMNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-17-15-13(11-19(2)9-5-8-16)10-12-6-3-4-7-14(12)18-15/h3-4,6-7,10H,5,9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile?
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile has a molecular weight of 254.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 62177687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).