3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide

C14H23N3 — CID 61428935

IUPAC3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCC(C)C)c(C)c1
InChIInChI=1S/C14H23N3/c1-10(2)7-8-17(4)13-6-5-12(14(15)16)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H3,15,16)
InChIKeyZBMVEOLIFUEBMO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.76
Rot. Bonds5

About 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide

3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide (PubChem CID 61428935) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
PubChem CID61428935
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCC(C)C)c(C)c1
InChIInChI=1S/C14H23N3/c1-10(2)7-8-17(4)13-6-5-12(14(15)16)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H3,15,16)
InChIKeyZBMVEOLIFUEBMO-UHFFFAOYSA-N
XLogP2.76
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.76
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'}

Analyze 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide 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-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
N'-hydroxy-3-methyl-4-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 54934017
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide (CID 61428935) is 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCC(C)C)c(C)c1.
What is the InChIKey of 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The InChIKey is ZBMVEOLIFUEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)7-8-17(4)13-6-5-12(14(15)16)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H3,15,16).
What are the key properties of 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide is sourced from PubChem (CID 61428935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).