4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide

C17H29N3O — CID 106790693

IUPAC4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC(CC)CC)cc1OC
InChIInChI=1S/C17H29N3O/c1-5-13(6-2)11-20(7-3)12-14-8-9-15(17(18)19)16(10-14)21-4/h8-10,13H,5-7,11-12H2,1-4H3,(H3,18,19)
InChIKeyPEZNCQZRIHVIEM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.24
Rot. Bonds9

About 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide

4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106790693) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID106790693
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC(CC)CC)cc1OC
InChIInChI=1S/C17H29N3O/c1-5-13(6-2)11-20(7-3)12-14-8-9-15(17(18)19)16(10-14)21-4/h8-10,13H,5-7,11-12H2,1-4H3,(H3,18,19)
InChIKeyPEZNCQZRIHVIEM-UHFFFAOYSA-N
XLogP3.24
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106790768
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide (CID 106790693) is 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)CC(CC)CC)cc1OC.
What is the InChIKey of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is PEZNCQZRIHVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-13(6-2)11-20(7-3)12-14-8-9-15(17(18)19)16(10-14)21-4/h8-10,13H,5-7,11-12H2,1-4H3,(H3,18,19).
What are the key properties of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide?
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 291.44 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).