4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide

C16H27N3O2 — CID 114483465

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCCOC)CCOC)c(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-11-14(16(17)18)5-6-15(13)12-19(8-10-21-3)7-4-9-20-2/h5-6,11H,4,7-10,12H2,1-3H3,(H3,17,18)
InChIKeyMZNNGTCIGXEXKH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.76
Rot. Bonds10

About 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483465) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114483465
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCCOC)CCOC)c(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-11-14(16(17)18)5-6-15(13)12-19(8-10-21-3)7-4-9-20-2/h5-6,11H,4,7-10,12H2,1-3H3,(H3,17,18)
InChIKeyMZNNGTCIGXEXKH-UHFFFAOYSA-N
XLogP1.76
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 107200228
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
CID 54985064
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide (CID 114483465) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CCCOC)CCOC)c(C)c1.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is MZNNGTCIGXEXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-11-14(16(17)18)5-6-15(13)12-19(8-10-21-3)7-4-9-20-2/h5-6,11H,4,7-10,12H2,1-3H3,(H3,17,18).
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 293.41 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).