2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide

C15H23N3O — CID 55004124

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(12-7-8-12)18(9-10-19-2)14-6-4-3-5-13(14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyGUSUJWZMJSPEQN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds7

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide

2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide (PubChem CID 55004124) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
PubChem CID55004124
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(12-7-8-12)18(9-10-19-2)14-6-4-3-5-13(14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyGUSUJWZMJSPEQN-UHFFFAOYSA-N
XLogP2.22
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
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

5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944970
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide (CID 55004124) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(CCOC)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The InChIKey is GUSUJWZMJSPEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(12-7-8-12)18(9-10-19-2)14-6-4-3-5-13(14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55004124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).