N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide

C9H17N3 — CID 129237420

IUPACN'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide
SMILESC/C(N)=N\[C@@H]1[C@@H]2CC[C@H]1N(C)C2
InChIInChI=1S/C9H17N3/c1-6(10)11-9-7-3-4-8(9)12(2)5-7/h7-9H,3-5H2,1-2H3,(H2,10,11)/t7-,8-,9-/m1/s1
InChIKeyRQFKXJCDVUVONS-IWSPIJDZSA-N
MW167.26 g/mol
LogP0.46
Rot. Bonds1

About N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide

N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide (PubChem CID 129237420) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide
PubChem CID129237420
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide
SMILESC/C(N)=N\[C@@H]1[C@@H]2CC[C@H]1N(C)C2
InChIInChI=1S/C9H17N3/c1-6(10)11-9-7-3-4-8(9)12(2)5-7/h7-9H,3-5H2,1-2H3,(H2,10,11)/t7-,8-,9-/m1/s1
InChIKeyRQFKXJCDVUVONS-IWSPIJDZSA-N
XLogP0.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide?
The IUPAC name of N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide (CID 129237420) is N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide.
What is the SMILES notation for N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide?
The canonical SMILES for N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide is C/C(N)=N\[C@@H]1[C@@H]2CC[C@H]1N(C)C2.
What is the InChIKey of N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide?
The InChIKey is RQFKXJCDVUVONS-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(10)11-9-7-3-4-8(9)12(2)5-7/h7-9H,3-5H2,1-2H3,(H2,10,11)/t7-,8-,9-/m1/s1.
What are the key properties of N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide?
N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,4R,7R)-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl]ethanimidamide is sourced from PubChem (CID 129237420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).