N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide

C13H28N4O — CID 77031316

IUPACN'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCC(C)N1CCCCC1
InChIInChI=1S/C13H28N4O/c1-3-12(9-13(14)16-18)15-10-11(2)17-7-5-4-6-8-17/h11-12,15,18H,3-10H2,1-2H3,(H2,14,16)
InChIKeyGJJMIXHVQCOQGL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds7

About N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide

N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide (PubChem CID 77031316) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide
PubChem CID77031316
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCC(C)N1CCCCC1
InChIInChI=1S/C13H28N4O/c1-3-12(9-13(14)16-18)15-10-11(2)17-7-5-4-6-8-17/h11-12,15,18H,3-10H2,1-2H3,(H2,14,16)
InChIKeyGJJMIXHVQCOQGL-UHFFFAOYSA-N
XLogP1.37
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
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

5-methyl-N-(2-piperidin-1-ylpropyl)heptan-3-amine
CID 54899309
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide (CID 77031316) is N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide is CCC(CC(N)=NO)NCC(C)N1CCCCC1.
What is the InChIKey of N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide?
The InChIKey is GJJMIXHVQCOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-12(9-13(14)16-18)15-10-11(2)17-7-5-4-6-8-17/h11-12,15,18H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide?
N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide is sourced from PubChem (CID 77031316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).