3-[5-hydroxypentyl(methyl)amino]pentanimidamide

C11H25N3O — CID 107200191

IUPAC3-[5-hydroxypentyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CCCCCO
InChIInChI=1S/C11H25N3O/c1-3-10(9-11(12)13)14(2)7-5-4-6-8-15/h10,15H,3-9H2,1-2H3,(H3,12,13)
InChIKeyMUYOLTVHWPYPMH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.19
Rot. Bonds9

About 3-[5-hydroxypentyl(methyl)amino]pentanimidamide

3-[5-hydroxypentyl(methyl)amino]pentanimidamide (PubChem CID 107200191) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[5-hydroxypentyl(methyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[5-hydroxypentyl(methyl)amino]pentanimidamide
PubChem CID107200191
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[5-hydroxypentyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CCCCCO
InChIInChI=1S/C11H25N3O/c1-3-10(9-11(12)13)14(2)7-5-4-6-8-15/h10,15H,3-9H2,1-2H3,(H3,12,13)
InChIKeyMUYOLTVHWPYPMH-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.19
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
3-[3-(Hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43590353
3-[3-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 60914182
3-[2-Hydroxyethyl(methyl)amino]pentanimidamide
CID 60961694
3-[Ethyl(2-hydroxyethyl)amino]pentanimidamide
CID 60980767
3-[Bis(2-hydroxyethyl)amino]pentanimidamide
CID 61233575
4-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407244
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61407246
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407291
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 61407292
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407293
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407719

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxypentyl(methyl)amino]pentanimidamide?
The IUPAC name of 3-[5-hydroxypentyl(methyl)amino]pentanimidamide (CID 107200191) is 3-[5-hydroxypentyl(methyl)amino]pentanimidamide.
What is the SMILES notation for 3-[5-hydroxypentyl(methyl)amino]pentanimidamide?
The canonical SMILES for 3-[5-hydroxypentyl(methyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CCCCCO.
What is the InChIKey of 3-[5-hydroxypentyl(methyl)amino]pentanimidamide?
The InChIKey is MUYOLTVHWPYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-10(9-11(12)13)14(2)7-5-4-6-8-15/h10,15H,3-9H2,1-2H3,(H3,12,13).
What are the key properties of 3-[5-hydroxypentyl(methyl)amino]pentanimidamide?
3-[5-hydroxypentyl(methyl)amino]pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxypentyl(methyl)amino]pentanimidamide is sourced from PubChem (CID 107200191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).