3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide

C12H23N3 — CID 63683134

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C12H23N3/c1-15(5-4-12(13)14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyVYQFBUYZKKPJEX-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide (PubChem CID 63683134) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide
PubChem CID63683134
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C12H23N3/c1-15(5-4-12(13)14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyVYQFBUYZKKPJEX-UHFFFAOYSA-N
XLogP1.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
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 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide (CID 63683134) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide?
The InChIKey is VYQFBUYZKKPJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-15(5-4-12(13)14)8-11-7-9-2-3-10(11)6-9/h9-11H,2-8H2,1H3,(H3,13,14).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide has a molecular weight of 209.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 63683134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).