N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide

C10H24N4O2 — CID 77030327

IUPACN'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
SMILESCOCCN(C)CCNCCCC(N)=NO
InChIInChI=1S/C10H24N4O2/c1-14(8-9-16-2)7-6-12-5-3-4-10(11)13-15/h12,15H,3-9H2,1-2H3,(H2,11,13)
InChIKeyXHUHEDXYEVTRPE-UHFFFAOYSA-N
MW232.33 g/mol
LogP-0.32
Rot. Bonds10

About N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide

N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide (PubChem CID 77030327) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
PubChem CID77030327
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC NameN'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
SMILESCOCCN(C)CCNCCCC(N)=NO
InChIInChI=1S/C10H24N4O2/c1-14(8-9-16-2)7-6-12-5-3-4-10(11)13-15/h12,15H,3-9H2,1-2H3,(H2,11,13)
InChIKeyXHUHEDXYEVTRPE-UHFFFAOYSA-N
XLogP-0.32
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-0.32
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

N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide (CID 77030327) is N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide is COCCN(C)CCNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide?
The InChIKey is XHUHEDXYEVTRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-14(8-9-16-2)7-6-12-5-3-4-10(11)13-15/h12,15H,3-9H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide?
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide has a molecular weight of 232.33 g/mol, XLogP of -0.32, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide is sourced from PubChem (CID 77030327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).