2-[3-(dimethylamino)propyl]benzonitrile

C12H16N2 — CID 10702796

IUPAC2-[3-(dimethylamino)propyl]benzonitrile
SMILESCN(C)CCCc1ccccc1C#N
InChIInChI=1S/C12H16N2/c1-14(2)9-5-8-11-6-3-4-7-12(11)10-13/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyDMFXJZYCAYTXGN-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.05
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]benzonitrile

2-[3-(dimethylamino)propyl]benzonitrile (PubChem CID 10702796) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]benzonitrile
PubChem CID10702796
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[3-(dimethylamino)propyl]benzonitrile
SMILESCN(C)CCCc1ccccc1C#N
InChIInChI=1S/C12H16N2/c1-14(2)9-5-8-11-6-3-4-7-12(11)10-13/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyDMFXJZYCAYTXGN-UHFFFAOYSA-N
XLogP2.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]benzonitrile?
The IUPAC name of 2-[3-(dimethylamino)propyl]benzonitrile (CID 10702796) is 2-[3-(dimethylamino)propyl]benzonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]benzonitrile?
The canonical SMILES for 2-[3-(dimethylamino)propyl]benzonitrile is CN(C)CCCc1ccccc1C#N.
What is the InChIKey of 2-[3-(dimethylamino)propyl]benzonitrile?
The InChIKey is DMFXJZYCAYTXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14(2)9-5-8-11-6-3-4-7-12(11)10-13/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]benzonitrile?
2-[3-(dimethylamino)propyl]benzonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]benzonitrile is sourced from PubChem (CID 10702796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).