2-[methyl(pentan-2-yl)amino]benzenecarboximidamide

C13H21N3 — CID 43572161

IUPAC2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C(C)CCC
InChIInChI=1S/C13H21N3/c1-4-7-10(2)16(3)12-9-6-5-8-11(12)13(14)15/h5-6,8-10H,4,7H2,1-3H3,(H3,14,15)
InChIKeyJFJKHAVXDYQDRT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds5

About 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide

2-[methyl(pentan-2-yl)amino]benzenecarboximidamide (PubChem CID 43572161) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
PubChem CID43572161
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C(C)CCC
InChIInChI=1S/C13H21N3/c1-4-7-10(2)16(3)12-9-6-5-8-11(12)13(14)15/h5-6,8-10H,4,7H2,1-3H3,(H3,14,15)
InChIKeyJFJKHAVXDYQDRT-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
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 2-[methyl(pentan-2-yl)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

2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 112660195
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide (CID 43572161) is 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)C(C)CCC.
What is the InChIKey of 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide?
The InChIKey is JFJKHAVXDYQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-7-10(2)16(3)12-9-6-5-8-11(12)13(14)15/h5-6,8-10H,4,7H2,1-3H3,(H3,14,15).
What are the key properties of 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide?
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide has a molecular weight of 219.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 43572161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).