4-[5-hydroxypentyl(methyl)amino]butanimidamide

C10H23N3O — CID 107200190

IUPAC4-[5-hydroxypentyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCCCCO
InChIInChI=1S/C10H23N3O/c1-13(7-3-2-4-9-14)8-5-6-10(11)12/h14H,2-9H2,1H3,(H3,11,12)
InChIKeyMYUXGLBWXWGWNL-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.80
Rot. Bonds9

About 4-[5-hydroxypentyl(methyl)amino]butanimidamide

4-[5-hydroxypentyl(methyl)amino]butanimidamide (PubChem CID 107200190) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[5-hydroxypentyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[5-hydroxypentyl(methyl)amino]butanimidamide
PubChem CID107200190
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name4-[5-hydroxypentyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCCCCO
InChIInChI=1S/C10H23N3O/c1-13(7-3-2-4-9-14)8-5-6-10(11)12/h14H,2-9H2,1H3,(H3,11,12)
InChIKeyMYUXGLBWXWGWNL-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

3,3,3-Trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200226
N-(5,5-dihydroxypentyl)-N-methylethanimidamide
CID 142132180
4-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407244
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407291
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407293
5-[Butyl(2-hydroxyethyl)amino]pentanimidamide
CID 61524311
5-[2-Hydroxyethyl(methyl)amino]pentanimidamide
CID 61524431
5-[Ethyl(2-hydroxyethyl)amino]pentanimidamide
CID 61524472
5-[2-(Hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61524561
5-[2-Hydroxyethyl(propyl)amino]pentanimidamide
CID 61524765
5-[3-Hydroxypropyl(propan-2-yl)amino]pentanimidamide
CID 61581522
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide
CID 107200082

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxypentyl(methyl)amino]butanimidamide?
The IUPAC name of 4-[5-hydroxypentyl(methyl)amino]butanimidamide (CID 107200190) is 4-[5-hydroxypentyl(methyl)amino]butanimidamide.
What is the SMILES notation for 4-[5-hydroxypentyl(methyl)amino]butanimidamide?
The canonical SMILES for 4-[5-hydroxypentyl(methyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CCCCCO.
What is the InChIKey of 4-[5-hydroxypentyl(methyl)amino]butanimidamide?
The InChIKey is MYUXGLBWXWGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-13(7-3-2-4-9-14)8-5-6-10(11)12/h14H,2-9H2,1H3,(H3,11,12).
What are the key properties of 4-[5-hydroxypentyl(methyl)amino]butanimidamide?
4-[5-hydroxypentyl(methyl)amino]butanimidamide has a molecular weight of 201.31 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxypentyl(methyl)amino]butanimidamide is sourced from PubChem (CID 107200190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).