2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine

C18H27N3 — CID 130557090

IUPAC2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
SMILESCC12CCC(C1)C(C)(C)C2N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-17(2)14-9-10-18(3,11-14)15(17)21-16(19)20-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,21)
InChIKeyOLBORZCWKNQDKS-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.31
Rot. Bonds3

About 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine

2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine (PubChem CID 130557090) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
PubChem CID130557090
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
SMILESCC12CCC(C1)C(C)(C)C2N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-17(2)14-9-10-18(3,11-14)15(17)21-16(19)20-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,21)
InChIKeyOLBORZCWKNQDKS-UHFFFAOYSA-N
XLogP3.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.31
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

CID 32568
CID 32568
CID 32567
CID 32567
CID 20590609
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CID 14853437
CID 14853437
CID 14853469
CID 14853469
CID 32536
CID 32536
CID 32570
CID 32570
CID 64464103
CID 64464103
CID 64464645
CID 64464645
CID 64464650
CID 64464650
CID 64464695
CID 64464695
CID 64464892
CID 64464892

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The IUPAC name of 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine (CID 130557090) is 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The canonical SMILES for 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine is CC12CCC(C1)C(C)(C)C2N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The InChIKey is OLBORZCWKNQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-17(2)14-9-10-18(3,11-14)15(17)21-16(19)20-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine has a molecular weight of 285.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine is sourced from PubChem (CID 130557090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).