3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C13H21N3O — CID 63695114

IUPAC3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-15(2)7-8-16(3)13(17)12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyPUHAMFDONQJKQK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.78
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 63695114) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID63695114
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-15(2)7-8-16(3)13(17)12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyPUHAMFDONQJKQK-UHFFFAOYSA-N
XLogP0.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-(aminomethyl)-N-[2-[5-(2-hydroxyethylamino)pentylamino]ethyl]-N-methylbenzamide
CID 159080791
N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77017462
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
CID 102978276
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
N,3-diethyl-N-methylbenzamide
CID 89250993
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
CID 169277904

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 63695114) is 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is PUHAMFDONQJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)7-8-16(3)13(17)12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 63695114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).