3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide

C15H24N4O — CID 111632276

IUPAC3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCCN/C(=N/CCc1cccc(C(=O)NC)c1)N(C)C
InChIInChI=1S/C15H24N4O/c1-5-17-15(19(3)4)18-10-9-12-7-6-8-13(11-12)14(20)16-2/h6-8,11H,5,9-10H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyBQKBNSPFGIEGOJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.12
Rot. Bonds5

About 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide

3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide (PubChem CID 111632276) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide
PubChem CID111632276
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCCN/C(=N/CCc1cccc(C(=O)NC)c1)N(C)C
InChIInChI=1S/C15H24N4O/c1-5-17-15(19(3)4)18-10-9-12-7-6-8-13(11-12)14(20)16-2/h6-8,11H,5,9-10H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyBQKBNSPFGIEGOJ-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.12
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

3-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-N-methylbenzamide
CID 109386131
3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 109424703
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 75424046
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111979205
tert-butyl N-[2-[[N-ethyl-N'-[2-[3-(methylcarbamoyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 111631924
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058875
3-[2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111773160
3-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111288961
3-[2-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111632567
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
3-[2-[[N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634617
3-[[[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111241031

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide (CID 111632276) is 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide is CCN/C(=N/CCc1cccc(C(=O)NC)c1)N(C)C.
What is the InChIKey of 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide?
The InChIKey is BQKBNSPFGIEGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-17-15(19(3)4)18-10-9-12-7-6-8-13(11-12)14(20)16-2/h6-8,11H,5,9-10H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide?
3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 111632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).