2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C15H23N3O — CID 77071605

IUPAC2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CC1(CC(N)=NO)CC1)c1ccccc1C
InChIInChI=1S/C15H23N3O/c1-3-18(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(16)17-19/h4-7,19H,3,8-11H2,1-2H3,(H2,16,17)
InChIKeyAHYZQCZVMFYALS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds6

About 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071605) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071605
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CC1(CC(N)=NO)CC1)c1ccccc1C
InChIInChI=1S/C15H23N3O/c1-3-18(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(16)17-19/h4-7,19H,3,8-11H2,1-2H3,(H2,16,17)
InChIKeyAHYZQCZVMFYALS-UHFFFAOYSA-N
XLogP2.74
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071605) is 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCN(CC1(CC(N)=NO)CC1)c1ccccc1C.
What is the InChIKey of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is AHYZQCZVMFYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(13-7-5-4-6-12(13)2)11-15(8-9-15)10-14(16)17-19/h4-7,19H,3,8-11H2,1-2H3,(H2,16,17).
What are the key properties of 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 261.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).