2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H21N3O3 — CID 77071796

IUPAC2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCOc1ccc(OC)c(NCC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-10-3-4-12(20-2)11(7-10)16-9-14(5-6-14)8-13(15)17-18/h3-4,7,16,18H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyADLJRFHZYBHUEG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds7

About 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071796) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071796
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCOc1ccc(OC)c(NCC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-10-3-4-12(20-2)11(7-10)16-9-14(5-6-14)8-13(15)17-18/h3-4,7,16,18H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyADLJRFHZYBHUEG-UHFFFAOYSA-N
XLogP2.03
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070554
N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 106261536
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578
2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65482331
2-[1-[[4-chloro-2-(trifluoromethyl)anilino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071797
N'-hydroxy-2-[1-[(4-methylsulfanylanilino)methyl]cyclopropyl]ethanimidamide
CID 77071500
3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919718

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071796) is 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is COc1ccc(OC)c(NCC2(CC(N)=NO)CC2)c1.
What is the InChIKey of 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is ADLJRFHZYBHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-10-3-4-12(20-2)11(7-10)16-9-14(5-6-14)8-13(15)17-18/h3-4,7,16,18H,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 279.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).