4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid

C18H23NO2 — CID 65347724

IUPAC4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H23NO2/c20-18(21)12-6-4-11(5-7-12)10-19-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17,19H,1-3,8-10H2,(H,20,21)
InChIKeyUEELBFTVHITKSV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds4

About 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid

4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid (PubChem CID 65347724) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
PubChem CID65347724
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H23NO2/c20-18(21)12-6-4-11(5-7-12)10-19-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17,19H,1-3,8-10H2,(H,20,21)
InChIKeyUEELBFTVHITKSV-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
CID 104608471
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124839022
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108

Frequently Asked Questions

What is the IUPAC name of 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid?
The IUPAC name of 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid (CID 65347724) is 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid is O=C(O)c1ccc(CNC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid?
The InChIKey is UEELBFTVHITKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(21)12-6-4-11(5-7-12)10-19-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17,19H,1-3,8-10H2,(H,20,21).
What are the key properties of 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid?
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid is sourced from PubChem (CID 65347724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).