N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide

C15H23N3O2 — CID 106261536

IUPACN'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOc1ccccc1CCNCC1(C/C(N)=N/O)CC1
InChIInChI=1S/C15H23N3O2/c1-20-13-5-3-2-4-12(13)6-9-17-11-15(7-8-15)10-14(16)18-19/h2-5,17,19H,6-11H2,1H3,(H2,16,18)
InChIKeyDVDWGDWLVZPBMR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.74
Rot. Bonds8

About N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 106261536) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID106261536
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOc1ccccc1CCNCC1(C/C(N)=N/O)CC1
InChIInChI=1S/C15H23N3O2/c1-20-13-5-3-2-4-12(13)6-9-17-11-15(7-8-15)10-14(16)18-19/h2-5,17,19H,6-11H2,1H3,(H2,16,18)
InChIKeyDVDWGDWLVZPBMR-UHFFFAOYSA-N
XLogP1.74
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243096
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 106260828
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106262399
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide (CID 106261536) is N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide is COc1ccccc1CCNCC1(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is DVDWGDWLVZPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-5-3-2-4-12(13)6-9-17-11-15(7-8-15)10-14(16)18-19/h2-5,17,19H,6-11H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 106261536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).