N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide

C11H23N3O — CID 77027633

IUPACN'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide
SMILESCC(CNCC1(C)CCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-9(10(12)14-15)7-13-8-11(2)5-3-4-6-11/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXTEZALVULZUCJN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.54
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide

N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide (PubChem CID 77027633) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide
PubChem CID77027633
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide
SMILESCC(CNCC1(C)CCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-9(10(12)14-15)7-13-8-11(2)5-3-4-6-11/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXTEZALVULZUCJN-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
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-3-[(1-methylcyclopentyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide (CID 77027633) is N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide is CC(CNCC1(C)CCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide?
The InChIKey is XTEZALVULZUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(10(12)14-15)7-13-8-11(2)5-3-4-6-11/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(1-methylcyclopentyl)methylamino]propanimidamide is sourced from PubChem (CID 77027633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).