4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide

C13H20N4O — CID 111041011

IUPAC4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C13H20N4O/c1-4-15-13(14)16-9-10-5-7-11(8-6-10)12(18)17(2)3/h5-8H,4,9H2,1-3H3,(H3,14,15,16)
InChIKeyYGCXXBBRNCRLJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.81
Rot. Bonds4

About 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide

4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111041011) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
PubChem CID111041011
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C13H20N4O/c1-4-15-13(14)16-9-10-5-7-11(8-6-10)12(18)17(2)3/h5-8H,4,9H2,1-3H3,(H3,14,15,16)
InChIKeyYGCXXBBRNCRLJA-UHFFFAOYSA-N
XLogP0.81
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.81
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

4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040921
4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040919
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
4-[[[ethylamino-[[2-(ethylamino)-2-oxoethyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873406
4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040962
4-[[[[(4-bromophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111875741
methyl 3-[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111875112
4-[[[[2-(2,2-dimethylpropanoylamino)ethylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111873427
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648
4-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111875437
4-[[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111247979

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide (CID 111041011) is 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide is CCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is YGCXXBBRNCRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-15-13(14)16-9-10-5-7-11(8-6-10)12(18)17(2)3/h5-8H,4,9H2,1-3H3,(H3,14,15,16).
What are the key properties of 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111041011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).