2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide

C11H21N3O — CID 77017042

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC1CC2CCC1C2
InChIInChI=1S/C11H21N3O/c1-14(7-11(12)13-15)6-10-5-8-2-3-9(10)4-8/h8-10,15H,2-7H2,1H3,(H2,12,13)
InChIKeyBJYMUYYXTRPXBU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.10
Rot. Bonds4

About 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77017042) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide
PubChem CID77017042
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC1CC2CCC1C2
InChIInChI=1S/C11H21N3O/c1-14(7-11(12)13-15)6-10-5-8-2-3-9(10)4-8/h8-10,15H,2-7H2,1H3,(H2,12,13)
InChIKeyBJYMUYYXTRPXBU-UHFFFAOYSA-N
XLogP1.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.10
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 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide (CID 77017042) is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is BJYMUYYXTRPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(7-11(12)13-15)6-10-5-8-2-3-9(10)4-8/h8-10,15H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide?
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77017042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).