5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide

C15H25N3O3 — CID 77025166

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCOc1ccc(CCNCCCCC(N)=NO)cc1OC
InChIInChI=1S/C15H25N3O3/c1-20-13-7-6-12(11-14(13)21-2)8-10-17-9-4-3-5-15(16)18-19/h6-7,11,17,19H,3-5,8-10H2,1-2H3,(H2,16,18)
InChIKeyCOUATBSJDHLVDM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.75
Rot. Bonds10

About 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77025166) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77025166
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCOc1ccc(CCNCCCCC(N)=NO)cc1OC
InChIInChI=1S/C15H25N3O3/c1-20-13-7-6-12(11-14(13)21-2)8-10-17-9-4-3-5-15(16)18-19/h6-7,11,17,19H,3-5,8-10H2,1-2H3,(H2,16,18)
InChIKeyCOUATBSJDHLVDM-UHFFFAOYSA-N
XLogP1.75
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
CID 44522466
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
1-chloro-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-ol
CID 151046701
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-en-1-amine
CID 60689859
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide (CID 77025166) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide is COc1ccc(CCNCCCCC(N)=NO)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is COUATBSJDHLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-20-13-7-6-12(11-14(13)21-2)8-10-17-9-4-3-5-15(16)18-19/h6-7,11,17,19H,3-5,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 295.38 g/mol, XLogP of 1.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77025166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).