4-(aminomethyl)-N-(3-cyanopropyl)benzamide

C12H15N3O — CID 62667032

IUPAC4-(aminomethyl)-N-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H15N3O/c13-7-1-2-8-15-12(16)11-5-3-10(9-14)4-6-11/h3-6H,1-2,8-9,14H2,(H,15,16)
InChIKeyALHULGZJGAELAV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.18
Rot. Bonds5

About 4-(aminomethyl)-N-(3-cyanopropyl)benzamide

4-(aminomethyl)-N-(3-cyanopropyl)benzamide (PubChem CID 62667032) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-cyanopropyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-cyanopropyl)benzamide
PubChem CID62667032
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(aminomethyl)-N-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H15N3O/c13-7-1-2-8-15-12(16)11-5-3-10(9-14)4-6-11/h3-6H,1-2,8-9,14H2,(H,15,16)
InChIKeyALHULGZJGAELAV-UHFFFAOYSA-N
XLogP1.18
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
N-(3-cyanopropyl)benzamide
CID 62666234
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
CID 82097324
4-(aminomethyl)-N-[4-(4-nitrophenyl)butyl]benzamide;hydrochloride
CID 119320517
4-(aminomethyl)-N-cyanobenzamide
CID 79195247
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
4-(aminomethyl)-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119311626

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-cyanopropyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3-cyanopropyl)benzamide (CID 62667032) is 4-(aminomethyl)-N-(3-cyanopropyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-cyanopropyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-cyanopropyl)benzamide is N#CCCCNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-cyanopropyl)benzamide?
The InChIKey is ALHULGZJGAELAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-1-2-8-15-12(16)11-5-3-10(9-14)4-6-11/h3-6H,1-2,8-9,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(3-cyanopropyl)benzamide?
4-(aminomethyl)-N-(3-cyanopropyl)benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-cyanopropyl)benzamide is sourced from PubChem (CID 62667032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).