N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide

C10H19N3O2 — CID 80714290

IUPACN'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNC2CCOC2)CC1)=NO
InChIInChI=1S/C10H19N3O2/c11-9(13-14)5-10(2-3-10)7-12-8-1-4-15-6-8/h8,12,14H,1-7H2,(H2,11,13)
InChIKeyMKUGBHDLWJXJAF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.28
Rot. Bonds5

About N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 80714290) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID80714290
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNC2CCOC2)CC1)=NO
InChIInChI=1S/C10H19N3O2/c11-9(13-14)5-10(2-3-10)7-12-8-1-4-15-6-8/h8,12,14H,1-7H2,(H2,11,13)
InChIKeyMKUGBHDLWJXJAF-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070614
2-[1-[(1-ethoxypropan-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070616
N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070720
N'-hydroxy-2-[1-[(4-methoxybutan-2-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77070779
N'-hydroxy-2-[1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070805
N'-hydroxy-2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070868
N'-hydroxy-2-[1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070967
N'-hydroxy-2-[1-[(oxolan-3-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071020
N'-hydroxy-2-[1-[(1-methoxybutan-2-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071031
N'-hydroxy-2-[1-[(oxan-4-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071061
N'-hydroxy-2-[1-[(1-methoxypentan-2-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071081
2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071255

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide (CID 80714290) is N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNC2CCOC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is MKUGBHDLWJXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(13-14)5-10(2-3-10)7-12-8-1-4-15-6-8/h8,12,14H,1-7H2,(H2,11,13).
What are the key properties of N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 213.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(oxolan-3-ylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 80714290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).