N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide

C13H28N4O — CID 76949002

IUPACN'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
SMILESCC(C)CN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-12(2)11-17-9-7-16(8-10-17)6-4-3-5-13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyGIQBCCOCQZTAGT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.18
Rot. Bonds7

About N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide (PubChem CID 76949002) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
PubChem CID76949002
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
SMILESCC(C)CN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-12(2)11-17-9-7-16(8-10-17)6-4-3-5-13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyGIQBCCOCQZTAGT-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
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

N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63571513
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide (CID 76949002) is N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide is CC(C)CN1CCN(CCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide?
The InChIKey is GIQBCCOCQZTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(2)11-17-9-7-16(8-10-17)6-4-3-5-13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 76949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).