N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide

C13H28N4O — CID 77030734

IUPACN'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
SMILESCC(CN1CCCCC1)NCCCCC(N)=NO
InChIInChI=1S/C13H28N4O/c1-12(11-17-9-5-2-6-10-17)15-8-4-3-7-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16)
InChIKeyYZVAPLBBFYAUMO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds8

About N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide

N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide (PubChem CID 77030734) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
PubChem CID77030734
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
SMILESCC(CN1CCCCC1)NCCCCC(N)=NO
InChIInChI=1S/C13H28N4O/c1-12(11-17-9-5-2-6-10-17)15-8-4-3-7-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16)
InChIKeyYZVAPLBBFYAUMO-UHFFFAOYSA-N
XLogP1.37
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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': '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

5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 77031683
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide (CID 77030734) is N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide is CC(CN1CCCCC1)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide?
The InChIKey is YZVAPLBBFYAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(11-17-9-5-2-6-10-17)15-8-4-3-7-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide?
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide is sourced from PubChem (CID 77030734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).