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

C14H21N3O2 — CID 77070663

IUPACN'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCCOc2ccccc2)CC1)=NO
InChIInChI=1S/C14H21N3O2/c15-13(17-18)10-14(6-7-14)11-16-8-9-19-12-4-2-1-3-5-12/h1-5,16,18H,6-11H2,(H2,15,17)
InChIKeyKYLKFWIHVZQMLD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds8

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

N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77070663) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77070663
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCCOc2ccccc2)CC1)=NO
InChIInChI=1S/C14H21N3O2/c15-13(17-18)10-14(6-7-14)11-16-8-9-19-12-4-2-1-3-5-12/h1-5,16,18H,6-11H2,(H2,15,17)
InChIKeyKYLKFWIHVZQMLD-UHFFFAOYSA-N
XLogP1.57
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
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

1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
CID 80597497
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995
N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
N'-hydroxy-4-[2-[(1-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77056371
2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070554
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
CID 65496626
N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide
CID 77071325
2-(4-bromophenoxy)-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 115455603

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide (CID 77070663) is N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCCOc2ccccc2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is KYLKFWIHVZQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13(17-18)10-14(6-7-14)11-16-8-9-19-12-4-2-1-3-5-12/h1-5,16,18H,6-11H2,(H2,15,17).
What are the key properties of N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 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-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).