benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

C17H26N+ — CID 23309137

IUPACbenzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1)C2
InChIInChI=1S/C17H25N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3/p+1/t14-,15-,17-/m1/s1
InChIKeyRDMPEKVKUMKCOW-BFYDXBDKSA-O
MW244.40 g/mol
LogP2.96
Rot. Bonds3

About benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (PubChem CID 23309137) has the molecular formula C17H26N+ and a molecular weight of 244.40 g/mol. Its IUPAC name is benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.

Molecular Properties

Compound Namebenzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
PubChem CID23309137
Molecular FormulaC17H26N+
Molecular Weight244.40 g/mol
Exact Mass244.21
IUPAC Namebenzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1)C2
InChIInChI=1S/C17H25N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3/p+1/t14-,15-,17-/m1/s1
InChIKeyRDMPEKVKUMKCOW-BFYDXBDKSA-O
XLogP2.96
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine
CID 23310308
1-(3-phenylprop-2-ynyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98311818
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184297
[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 6591136
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylpropanoate
CID 2832696
(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298
O-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzylsulfanylmethanethioate
CID 10471272
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 144677334
1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The IUPAC name of benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (CID 23309137) is benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.
What is the SMILES notation for benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The canonical SMILES for benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is CC1(C)[C@@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1)C2.
What is the InChIKey of benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The InChIKey is RDMPEKVKUMKCOW-BFYDXBDKSA-O. The full InChI is InChI=1S/C17H25N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3/p+1/t14-,15-,17-/m1/s1.
What are the key properties of benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium has a molecular weight of 244.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is sourced from PubChem (CID 23309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).