3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide

C15H22N4O — CID 110955462

IUPAC3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCCC1
InChIInChI=1S/C15H22N4O/c1-2-17-15(19-8-3-4-9-19)18-11-12-6-5-7-13(10-12)14(16)20/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,20)(H,17,18)
InChIKeyXLFXVQYDSKFLCS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds4

About 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide

3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide (PubChem CID 110955462) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide
PubChem CID110955462
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCCC1
InChIInChI=1S/C15H22N4O/c1-2-17-15(19-8-3-4-9-19)18-11-12-6-5-7-13(10-12)14(16)20/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,20)(H,17,18)
InChIKeyXLFXVQYDSKFLCS-UHFFFAOYSA-N
XLogP1.35
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[N'-[(3-carbamoylphenyl)methyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111162722
3-[[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(ethylamino)methylidene]amino]methyl]benzamide
CID 109443781
3-[[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111238354
3-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 109378825
3-[[[ethylamino-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]amino]methyl]benzamide
CID 111234077
3-[[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111132638
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N-ethyl-N'-[(3-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956795
N-ethyl-N'-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956789
3-[[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111740827
N-ethyl-3-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111143934
methyl 1-[N-ethyl-N'-[[3-(ethylcarbamoyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253537

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide?
The IUPAC name of 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide (CID 110955462) is 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide?
The canonical SMILES for 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCCC1.
What is the InChIKey of 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide?
The InChIKey is XLFXVQYDSKFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-17-15(19-8-3-4-9-19)18-11-12-6-5-7-13(10-12)14(16)20/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide?
3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide has a molecular weight of 274.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 110955462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).