2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide

C14H21N3O — CID 107110124

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CCOC)C1CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)17(8-9-18-2)11-6-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16)
InChIKeyYIIHVZBIHSLEAU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds6

About 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide

2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107110124) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107110124
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CCOC)C1CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)17(8-9-18-2)11-6-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16)
InChIKeyYIIHVZBIHSLEAU-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide (CID 107110124) is 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CCOC)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is YIIHVZBIHSLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)17(8-9-18-2)11-6-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide?
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).