2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol

C18H27NO2 — CID 107865055

IUPAC2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO2/c1-2-18(11-20,12-21)19-17-15-7-8-16(17)10-14-6-4-3-5-13(14)9-15/h3-6,15-17,19-21H,2,7-12H2,1H3
InChIKeyLCKVVBFXZFUROR-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.90
Rot. Bonds5

About 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol

2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol (PubChem CID 107865055) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol
PubChem CID107865055
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO2/c1-2-18(11-20,12-21)19-17-15-7-8-16(17)10-14-6-4-3-5-13(14)9-15/h3-6,15-17,19-21H,2,7-12H2,1H3
InChIKeyLCKVVBFXZFUROR-UHFFFAOYSA-N
XLogP1.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol with MolForge

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Related Compounds

5-(13-Tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
CID 106122690
2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol
CID 50983829
2-[[2-(4-Fluorophenyl)cyclopentyl]amino]propane-1,3-diol
CID 75482381
[13-(2,2,2-Trifluoroethylamino)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]methanol
CID 81680607
2-Ethyl-2-[[3-(3-fluorophenyl)cyclobutyl]amino]propane-1,3-diol
CID 104180377
2-Ethyl-2-[[3-(4-fluorophenyl)cyclobutyl]amino]propane-1,3-diol
CID 104180378
2-Ethyl-2-[[3-(2-fluorophenyl)cyclobutyl]amino]propane-1,3-diol
CID 104180382
1,1,1-Trifluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-2-ol
CID 105643792
1,1-Difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-2-ol
CID 105644473
N-[2-(2,2-difluoroethoxy)ethyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 105906027
2,2-Difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol
CID 106173026
2-{[(1S*,2S*)-2-(4-fluorobenzyl)cyclopentyl]amino}propane-1,3-diol
CID 133123655

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol (CID 107865055) is 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol is CCC(CO)(CO)NC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol?
The InChIKey is LCKVVBFXZFUROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-18(11-20,12-21)19-17-15-7-8-16(17)10-14-6-4-3-5-13(14)9-15/h3-6,15-17,19-21H,2,7-12H2,1H3.
What are the key properties of 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol?
2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol has a molecular weight of 289.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol is sourced from PubChem (CID 107865055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).