3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide

C12H23N3O — CID 77026459

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCC(N)=NO)C1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-8(14-5-4-12(13)15-16)11-7-9-2-3-10(11)6-9/h8-11,14,16H,2-7H2,1H3,(H2,13,15)
InChIKeyRIBDYVRGLKNRPO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds5

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77026459) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77026459
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCC(N)=NO)C1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-8(14-5-4-12(13)15-16)11-7-9-2-3-10(11)6-9/h8-11,14,16H,2-7H2,1H3,(H2,13,15)
InChIKeyRIBDYVRGLKNRPO-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
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 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide (CID 77026459) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide is CC(NCCC(N)=NO)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is RIBDYVRGLKNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(14-5-4-12(13)15-16)11-7-9-2-3-10(11)6-9/h8-11,14,16H,2-7H2,1H3,(H2,13,15).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.34 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 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).