4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide

C15H25N3 — CID 114483347

IUPAC4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CCCC)c(C)c1
InChIInChI=1S/C15H25N3/c1-4-6-9-18(5-2)11-14-8-7-13(15(16)17)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H3,16,17)
InChIKeyJDWMWMRGKYUYTQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.90
Rot. Bonds7

About 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide

4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483347) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114483347
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CCCC)c(C)c1
InChIInChI=1S/C15H25N3/c1-4-6-9-18(5-2)11-14-8-7-13(15(16)17)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H3,16,17)
InChIKeyJDWMWMRGKYUYTQ-UHFFFAOYSA-N
XLogP2.90
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.90
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-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
CID 24698282
4-[[ethyl(3-hydroxypropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114482038
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 107200228
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide (CID 114483347) is 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)CCCC)c(C)c1.
What is the InChIKey of 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is JDWMWMRGKYUYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-6-9-18(5-2)11-14-8-7-13(15(16)17)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H3,16,17).
What are the key properties of 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide?
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 247.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).