1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine

C15H25N3 — CID 102060719

IUPAC1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESN/C(=N\[C@H]1C[C@@H]2CC[C@H]1C2)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)/t9-,10-,11+,12+,13+,14+/m1/s1
InChIKeyBUMBJLLNFQQQKG-BSOLPCOYSA-N
MW247.39 g/mol
LogP2.27
Rot. Bonds2

About 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine

1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine (PubChem CID 102060719) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine.

Molecular Properties

Compound Name1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine
PubChem CID102060719
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESN/C(=N\[C@H]1C[C@@H]2CC[C@H]1C2)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)/t9-,10-,11+,12+,13+,14+/m1/s1
InChIKeyBUMBJLLNFQQQKG-BSOLPCOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine?
The IUPAC name of 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine (CID 102060719) is 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine.
What is the SMILES notation for 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine?
The canonical SMILES for 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine is N/C(=N\[C@H]1C[C@@H]2CC[C@H]1C2)N[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine?
The InChIKey is BUMBJLLNFQQQKG-BSOLPCOYSA-N. The full InChI is InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)/t9-,10-,11+,12+,13+,14+/m1/s1.
What are the key properties of 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine?
1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine has a molecular weight of 247.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine is sourced from PubChem (CID 102060719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).