3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile

C14H15N3O — CID 124889480

IUPAC3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
SMILESCN(C[C@H]1CCCO1)c1cccc(C#N)c1C#N
InChIInChI=1S/C14H15N3O/c1-17(10-12-5-3-7-18-12)14-6-2-4-11(8-15)13(14)9-16/h2,4,6,12H,3,5,7,10H2,1H3/t12-/m1/s1
InChIKeyVJEYAENRIUQMNL-GFCCVEGCSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds3

About 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile

3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile (PubChem CID 124889480) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
PubChem CID124889480
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
SMILESCN(C[C@H]1CCCO1)c1cccc(C#N)c1C#N
InChIInChI=1S/C14H15N3O/c1-17(10-12-5-3-7-18-12)14-6-2-4-11(8-15)13(14)9-16/h2,4,6,12H,3,5,7,10H2,1H3/t12-/m1/s1
InChIKeyVJEYAENRIUQMNL-GFCCVEGCSA-N
XLogP2.05
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile (CID 124889480) is 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile is CN(C[C@H]1CCCO1)c1cccc(C#N)c1C#N.
What is the InChIKey of 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is VJEYAENRIUQMNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(10-12-5-3-7-18-12)14-6-2-4-11(8-15)13(14)9-16/h2,4,6,12H,3,5,7,10H2,1H3/t12-/m1/s1.
What are the key properties of 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile?
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 124889480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).