3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

C15H25N3 — CID 107110148

IUPAC3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC(C)C)C(C)C
InChIInChI=1S/C15H25N3/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17/h6-8,10-11H,9H2,1-5H3,(H3,16,17)
InChIKeyLJKMGZARUIEUOR-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.15
Rot. Bonds5

About 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 107110148) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID107110148
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC(C)C)C(C)C
InChIInChI=1S/C15H25N3/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17/h6-8,10-11H,9H2,1-5H3,(H3,16,17)
InChIKeyLJKMGZARUIEUOR-UHFFFAOYSA-N
XLogP3.15
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.15
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

N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (CID 107110148) is 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is LJKMGZARUIEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17/h6-8,10-11H,9H2,1-5H3,(H3,16,17).
What are the key properties of 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 247.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 107110148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).