N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide

C11H23N3O2 — CID 104762073

IUPACN'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCOC(C)(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2,16-3)7-13-8-11(4-5-11)6-9(12)14-15/h13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBFZUGNDLDOMPBQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.92
Rot. Bonds7

About N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 104762073) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID104762073
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCOC(C)(C)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2,16-3)7-13-8-11(4-5-11)6-9(12)14-15/h13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBFZUGNDLDOMPBQ-UHFFFAOYSA-N
XLogP0.92
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.92
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

N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070558
2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114127896
5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063378
N'-hydroxy-5-(2-methoxyethylamino)-2,2-dimethylpentanimidamide
CID 77063629
5-(2-ethoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064078
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylbutyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070570
2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070614
2-[1-[(1-ethoxypropan-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070616
2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070623
N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 77070652
N'-hydroxy-2-[1-[(2-hydroxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070704
N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070720

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide (CID 104762073) is N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide is COC(C)(C)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is BFZUGNDLDOMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2,16-3)7-13-8-11(4-5-11)6-9(12)14-15/h13,15H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(2-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.92, 7 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-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104762073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).