N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide

C14H28N4O — CID 77034332

IUPACN'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide
SMILESCC1CCCC(N2CCN(C(C)C(N)=NO)CC2)C1
InChIInChI=1S/C14H28N4O/c1-11-4-3-5-13(10-11)18-8-6-17(7-9-18)12(2)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyXASBPUUWBKOTAQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.32
Rot. Bonds3

About N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide (PubChem CID 77034332) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide
PubChem CID77034332
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide
SMILESCC1CCCC(N2CCN(C(C)C(N)=NO)CC2)C1
InChIInChI=1S/C14H28N4O/c1-11-4-3-5-13(10-11)18-8-6-17(7-9-18)12(2)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyXASBPUUWBKOTAQ-UHFFFAOYSA-N
XLogP1.32
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide (CID 77034332) is N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide is CC1CCCC(N2CCN(C(C)C(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide?
The InChIKey is XASBPUUWBKOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11-4-3-5-13(10-11)18-8-6-17(7-9-18)12(2)14(15)16-19/h11-13,19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide has a molecular weight of 268.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77034332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).