3-[(dimethylamino)methyl]benzonitrile

C10H12N2 — CID 4641088

IUPAC3-[(dimethylamino)methyl]benzonitrile
SMILESCN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3
InChIKeyCWBMFVGIEVNOTQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.62
Rot. Bonds2

About 3-[(dimethylamino)methyl]benzonitrile

3-[(dimethylamino)methyl]benzonitrile (PubChem CID 4641088) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]benzonitrile
PubChem CID4641088
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-[(dimethylamino)methyl]benzonitrile
SMILESCN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3
InChIKeyCWBMFVGIEVNOTQ-UHFFFAOYSA-N
XLogP1.62
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]benzonitrile?
The IUPAC name of 3-[(dimethylamino)methyl]benzonitrile (CID 4641088) is 3-[(dimethylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(dimethylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(dimethylamino)methyl]benzonitrile is CN(C)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]benzonitrile?
The InChIKey is CWBMFVGIEVNOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]benzonitrile?
3-[(dimethylamino)methyl]benzonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]benzonitrile is sourced from PubChem (CID 4641088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).