N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide

C8H17N3O — CID 76915071

IUPACN'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide
SMILESCC1CCCN1C(C)C(N)=NO
InChIInChI=1S/C8H17N3O/c1-6-4-3-5-11(6)7(2)8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKSMDUPFGFPRDCW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.61
Rot. Bonds2

About N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide (PubChem CID 76915071) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide
PubChem CID76915071
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide
SMILESCC1CCCN1C(C)C(N)=NO
InChIInChI=1S/C8H17N3O/c1-6-4-3-5-11(6)7(2)8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKSMDUPFGFPRDCW-UHFFFAOYSA-N
XLogP0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.61
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-(2-methylpyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide (CID 76915071) is N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide is CC1CCCN1C(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide?
The InChIKey is KSMDUPFGFPRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-4-3-5-11(6)7(2)8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 76915071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).