N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide

C9H21N3O2 — CID 104869240

IUPACN'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
SMILESCC(O)CCN(C)CCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-8(13)5-7-12(2)6-3-4-9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIYNYCPHBNPQURL-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.22
Rot. Bonds7

About N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide

N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide (PubChem CID 104869240) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
PubChem CID104869240
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
SMILESCC(O)CCN(C)CCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-8(13)5-7-12(2)6-3-4-9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIYNYCPHBNPQURL-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide (CID 104869240) is N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide is CC(O)CCN(C)CCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide?
The InChIKey is IYNYCPHBNPQURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-8(13)5-7-12(2)6-3-4-9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide?
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide is sourced from PubChem (CID 104869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).