4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

C13H21N3O — CID 114230260

IUPAC4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCO)c(C)c1
InChIInChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-3-7-17/h4-5,8,17H,3,6-7,9H2,1-2H3,(H3,14,15)
InChIKeySEFUIJQJKOUMKH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds6

About 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide

4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114230260) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114230260
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCO)c(C)c1
InChIInChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-3-7-17/h4-5,8,17H,3,6-7,9H2,1-2H3,(H3,14,15)
InChIKeySEFUIJQJKOUMKH-UHFFFAOYSA-N
XLogP1.09
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 107200228
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
3-fluoro-4-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
CID 107200217
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107199866
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
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide (CID 114230260) is 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCCO)c(C)c1.
What is the InChIKey of 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is SEFUIJQJKOUMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-11(13(14)15)4-5-12(10)9-16(2)6-3-7-17/h4-5,8,17H,3,6-7,9H2,1-2H3,(H3,14,15).
What are the key properties of 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide?
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114230260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).