N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide

C12H18N2O — CID 2727594

IUPACN'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
SMILESCCCCc1ccc(/N=C/NO)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyLYNOGBKNFIHKLE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.98
Rot. Bonds5

About N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide

N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide (PubChem CID 2727594) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
PubChem CID2727594
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
SMILESCCCCc1ccc(/N=C/NO)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyLYNOGBKNFIHKLE-UHFFFAOYSA-N
XLogP2.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amitraz
CID 36324
N'-(2,4-dimethylphenyl)-N-methylformamidine
CID 36326
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
CID 20879
N-p-Tolyl-guanidine
CID 409364
1-Hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine
CID 10955037
N''-hydroxy-N-(4-isopropylphenyl)imidoformamide
CID 9815391
N-(4-ethylphenyl)-N''-hydroxyimidoformamide
CID 10130125
N-(4-hexylphenyl)-N''-hydroxyimidoformamide
CID 10130685
N-(4-sec-butylphenyl)-N''-hydroxyimidoformamide
CID 10198034
N'-(4-Tert-butylphenyl)-N-hydroxymethanimidamide
CID 10313487
N''-hydroxy-N-(4-methylphenyl)imidoformamide
CID 13163256
1-(4-tert-Butylphenyl)guanidine
CID 15662596

Frequently Asked Questions

What is the IUPAC name of N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide (CID 2727594) is N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide is CCCCc1ccc(/N=C/NO)c(C)c1.
What is the InChIKey of N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide?
The InChIKey is LYNOGBKNFIHKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide?
N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 2727594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).