4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

C15H25N3O — CID 107200228

IUPAC4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCCCO)c(C)c1
InChIInChI=1S/C15H25N3O/c1-12-10-13(15(16)17)6-7-14(12)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H3,16,17)
InChIKeyHQCRRJYXDARSPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds8

About 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 107200228) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID107200228
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCCCO)c(C)c1
InChIInChI=1S/C15H25N3O/c1-12-10-13(15(16)17)6-7-14(12)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H3,16,17)
InChIKeyHQCRRJYXDARSPV-UHFFFAOYSA-N
XLogP1.87
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
3-fluoro-4-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
CID 107200217
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107199866
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 114483390
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
3-methyl-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]benzenecarboximidamide
CID 114483605
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731

Frequently Asked Questions

What is the IUPAC name of 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (CID 107200228) is 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCCCCO)c(C)c1.
What is the InChIKey of 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is HQCRRJYXDARSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-10-13(15(16)17)6-7-14(12)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H3,16,17).
What are the key properties of 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107200228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).