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

C15H25N3 — CID 14771677

IUPAC1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine
SMILESN/C(=N\C1CC2CCC1C2)NC1CC2CCC1C2
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)
InChIKeyBUMBJLLNFQQQKG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.27
Rot. Bonds2

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

1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine (PubChem CID 14771677) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine.

Molecular Properties

Compound Name1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine
PubChem CID14771677
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine
SMILESN/C(=N\C1CC2CCC1C2)NC1CC2CCC1C2
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)
InChIKeyBUMBJLLNFQQQKG-UHFFFAOYSA-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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Related Compounds

1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine
CID 102060719
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
CID 21409354
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)guanidine
CID 124918230
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083134
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083131
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98387776
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
(1S,2S,4R)-2-[(1-amino-2-sulfosulfanylethylidene)amino]bicyclo[2.2.1]heptane
CID 92970667

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine?
The IUPAC name of 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine (CID 14771677) is 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine.
What is the SMILES notation for 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine?
The canonical SMILES for 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine is N/C(=N\C1CC2CCC1C2)NC1CC2CCC1C2.
What is the InChIKey of 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine?
The InChIKey is BUMBJLLNFQQQKG-UHFFFAOYSA-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).
What are the key properties of 1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine?
1,2-bis(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(2-bicyclo[2.2.1]heptanyl)guanidine is sourced from PubChem (CID 14771677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).