3-(aminomethyl)-N,N-dimethylbenzamide

C10H14N2O — CID 16773828

IUPAC3-(aminomethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3
InChIKeyWONKHTATCMFVOA-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.85
Rot. Bonds2

About 3-(aminomethyl)-N,N-dimethylbenzamide

3-(aminomethyl)-N,N-dimethylbenzamide (PubChem CID 16773828) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethylbenzamide
PubChem CID16773828
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(aminomethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3
InChIKeyWONKHTATCMFVOA-UHFFFAOYSA-N
XLogP0.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(aminomethyl)-N,N-dimethylbenzamide (CID 16773828) is 3-(aminomethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethylbenzamide?
The InChIKey is WONKHTATCMFVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethylbenzamide?
3-(aminomethyl)-N,N-dimethylbenzamide has a molecular weight of 178.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 16773828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).