N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide

C10H23N3O2 — CID 107200120

IUPACN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide
SMILESCC(CN(C)CCCCCO)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(10(11)12-15)8-13(2)6-4-3-5-7-14/h9,14-15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVDQNILPTUMUNJE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.46
Rot. Bonds8

About N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide

N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 107200120) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide
PubChem CID107200120
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide
SMILESCC(CN(C)CCCCCO)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(10(11)12-15)8-13(2)6-4-3-5-7-14/h9,14-15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVDQNILPTUMUNJE-UHFFFAOYSA-N
XLogP0.46
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.46
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

3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 106161743
3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200090
3,3,3-Trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200226
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590330
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43590334
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407719
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 61407766
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide (CID 107200120) is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide is CC(CN(C)CCCCCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is VDQNILPTUMUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(10(11)12-15)8-13(2)6-4-3-5-7-14/h9,14-15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 107200120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).