2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide

C13H21N3O — CID 76929902

IUPAC2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCc1ccc(CN(CC)CC(N)=NO)cc1
InChIInChI=1S/C13H21N3O/c1-3-11-5-7-12(8-6-11)9-16(4-2)10-13(14)15-17/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyRPKZQSUGJARPMV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds6

About 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide

2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 76929902) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID76929902
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCc1ccc(CN(CC)CC(N)=NO)cc1
InChIInChI=1S/C13H21N3O/c1-3-11-5-7-12(8-6-11)9-16(4-2)10-13(14)15-17/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyRPKZQSUGJARPMV-UHFFFAOYSA-N
XLogP1.82
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
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

2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76929898
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76936773
2-[(4-chloro-3-fluorophenyl)methyl-propylamino]-N'-hydroxyethanimidamide
CID 107881670
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176
N'-hydroxy-2-[(3-methylphenyl)methyl-propylamino]ethanimidamide
CID 76927653
4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102993661
2-[(4-fluorophenyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77044595
2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 77125317
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 77069714

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide (CID 76929902) is 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide is CCc1ccc(CN(CC)CC(N)=NO)cc1.
What is the InChIKey of 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is RPKZQSUGJARPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-5-7-12(8-6-11)9-16(4-2)10-13(14)15-17/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).