4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide

C14H22N2O — CID 43571598

IUPAC4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-11(2)16(3)14(17)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyWTQJPBQKSTYCCT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.41
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide

4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide (PubChem CID 43571598) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
PubChem CID43571598
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-11(2)16(3)14(17)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyWTQJPBQKSTYCCT-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 102851012
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide (CID 43571598) is 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide?
The InChIKey is WTQJPBQKSTYCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-11(2)16(3)14(17)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide?
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43571598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).