N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide

C13H27N3O — CID 55005421

IUPACN'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
SMILESCC1CCCCC1N(C)CCCC/C(N)=N/O
InChIInChI=1S/C13H27N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyZXZSVHAIGOSCFL-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.41
Rot. Bonds6

About N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide

N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide (PubChem CID 55005421) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
PubChem CID55005421
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
SMILESCC1CCCCC1N(C)CCCC/C(N)=N/O
InChIInChI=1S/C13H27N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyZXZSVHAIGOSCFL-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
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'}, {'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-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide (CID 55005421) is N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide is CC1CCCCC1N(C)CCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide?
The InChIKey is ZXZSVHAIGOSCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-7-3-4-8-12(11)16(2)10-6-5-9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide?
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide is sourced from PubChem (CID 55005421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).