4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide

C11H15N3O — CID 118474736

IUPAC4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H15N3O/c1-8(2)13-14-11(15)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3,(H,14,15)
InChIKeyUSAMFBRFEHURDP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.27
Rot. Bonds3

About 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide

4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide (PubChem CID 118474736) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
PubChem CID118474736
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H15N3O/c1-8(2)13-14-11(15)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3,(H,14,15)
InChIKeyUSAMFBRFEHURDP-UHFFFAOYSA-N
XLogP1.27
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
CID 59642161
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-(aminomethyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 135691055
4-(aminomethyl)-N-cyanobenzamide
CID 79195247
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide (CID 118474736) is 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide?
The InChIKey is USAMFBRFEHURDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)13-14-11(15)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide?
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 118474736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).