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

C11H23N3O — CID 76915196

IUPACN'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide
SMILESCC1CCCCC1N(C)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-8-6-4-5-7-10(8)14(3)9(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDPHNMEDMGSOSHC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds3

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

N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide (PubChem CID 76915196) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide
PubChem CID76915196
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide
SMILESCC1CCCCC1N(C)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-8-6-4-5-7-10(8)14(3)9(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDPHNMEDMGSOSHC-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[methyl-(2-methylcyclohexyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide (CID 76915196) is N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide is CC1CCCCC1N(C)C(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide?
The InChIKey is DPHNMEDMGSOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-6-4-5-7-10(8)14(3)9(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide?
N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 76915196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).