2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

C12H16N2O2 — CID 76939071

IUPAC2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(OCC2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-8-2-5-10(12(13)14-15)11(6-8)16-7-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H2,13,14)
InChIKeyCYIVJCBMGXKQLB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds4

About 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76939071) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76939071
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(OCC2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-8-2-5-10(12(13)14-15)11(6-8)16-7-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H2,13,14)
InChIKeyCYIVJCBMGXKQLB-UHFFFAOYSA-N
XLogP1.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606452
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 115505551
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76939071) is 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is CYIVJCBMGXKQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-2-5-10(12(13)14-15)11(6-8)16-7-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H2,13,14).
What are the key properties of 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76939071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).