N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide

C12H19N3O — CID 77028641

IUPACN'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
SMILESCc1cccc(CCNC(C)C(N)=NO)c1
InChIInChI=1S/C12H19N3O/c1-9-4-3-5-11(8-9)6-7-14-10(2)12(13)15-16/h3-5,8,10,14,16H,6-7H2,1-2H3,(H2,13,15)
InChIKeyYCXJRWFVTLLFRN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds5

About N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide

N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide (PubChem CID 77028641) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
PubChem CID77028641
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
SMILESCc1cccc(CCNC(C)C(N)=NO)c1
InChIInChI=1S/C12H19N3O/c1-9-4-3-5-11(8-9)6-7-14-10(2)12(13)15-16/h3-5,8,10,14,16H,6-7H2,1-2H3,(H2,13,15)
InChIKeyYCXJRWFVTLLFRN-UHFFFAOYSA-N
XLogP1.26
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
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-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77030267
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 76939266
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
N-(ethylcarbamoyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62315197
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
CID 62314821
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide (CID 77028641) is N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide is Cc1cccc(CCNC(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide?
The InChIKey is YCXJRWFVTLLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-3-5-11(8-9)6-7-14-10(2)12(13)15-16/h3-5,8,10,14,16H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide?
N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide has a molecular weight of 221.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide is sourced from PubChem (CID 77028641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).