4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide

C9H21N3O2 — CID 104864232

IUPAC4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
SMILESCCOC(C)CNCCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-3-14-8(2)7-11-6-4-5-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyFIWRSKBXWJTYGF-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.53
Rot. Bonds8

About 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide

4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide (PubChem CID 104864232) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
PubChem CID104864232
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
SMILESCCOC(C)CNCCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-3-14-8(2)7-11-6-4-5-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyFIWRSKBXWJTYGF-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
CID 106287042
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
CID 104867252
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056368

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide (CID 104864232) is 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide is CCOC(C)CNCCCC(N)=NO.
What is the InChIKey of 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide?
The InChIKey is FIWRSKBXWJTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-14-8(2)7-11-6-4-5-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide?
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104864232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).