4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide

C14H20N2O — CID 115734604

IUPAC4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(17)13-8-6-12(11-15)7-9-13/h3,6-9H,1,4-5,10-11,15H2,2H3
InChIKeyWJRPKRUNNKYAMW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.18
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide

4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide (PubChem CID 115734604) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
PubChem CID115734604
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(17)13-8-6-12(11-15)7-9-13/h3,6-9H,1,4-5,10-11,15H2,2H3
InChIKeyWJRPKRUNNKYAMW-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
N,N-diethyl-4-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]benzamide
CID 109499256
4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
CID 119305712
ethyl 4-[[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]methyl]benzoate
CID 109499270
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide (CID 115734604) is 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide?
The InChIKey is WJRPKRUNNKYAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-5-10-16(2)14(17)13-8-6-12(11-15)7-9-13/h3,6-9H,1,4-5,10-11,15H2,2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide?
4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.18, 6 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-pent-4-enylbenzamide is sourced from PubChem (CID 115734604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).