2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine

C14H19N3 — CID 21409354

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
SMILESN/C(=N\C1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C14H19N3/c15-14(16-12-4-2-1-3-5-12)17-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H3,15,16,17)
InChIKeyNBNNAISMXIBIOL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine

2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine (PubChem CID 21409354) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
PubChem CID21409354
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
SMILESN/C(=N\C1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C14H19N3/c15-14(16-12-4-2-1-3-5-12)17-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H3,15,16,17)
InChIKeyNBNNAISMXIBIOL-UHFFFAOYSA-N
XLogP2.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
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

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)guanidine
CID 124918230
1,2-bis(2-bicyclo[2.2.1]heptanyl)guanidine
CID 14771677
1,2-bis[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]guanidine
CID 102060719
2-cyclohexyl-1-phenylguanidine
CID 10900077
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
CID 116515206
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylthiourea
CID 11882248
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine (CID 21409354) is 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine is N/C(=N\C1CC2CCC1C2)Nc1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine?
The InChIKey is NBNNAISMXIBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-14(16-12-4-2-1-3-5-12)17-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H3,15,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine?
2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine is sourced from PubChem (CID 21409354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).