(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol

C16H21NO — CID 90679415

IUPAC(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol
SMILESCC[C@@]12CC=CCC(Cc3ccc(O)cc31)[C@@H]2N
InChIInChI=1S/C16H21NO/c1-2-16-8-4-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h3-4,6-7,10,12,15,18H,2,5,8-9,17H2,1H3/t12?,15-,16+/m0/s1
InChIKeyDONFCAMIZWSTQQ-FFPFEORLSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds1

About (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol

(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol (PubChem CID 90679415) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol.

Molecular Properties

Compound Name(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol
PubChem CID90679415
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol
SMILESCC[C@@]12CC=CCC(Cc3ccc(O)cc31)[C@@H]2N
InChIInChI=1S/C16H21NO/c1-2-16-8-4-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h3-4,6-7,10,12,15,18H,2,5,8-9,17H2,1H3/t12?,15-,16+/m0/s1
InChIKeyDONFCAMIZWSTQQ-FFPFEORLSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol 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

(1R,9S,13S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 3048844
7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 173208290
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492274
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
3-[[(2S,3S)-3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanoic acid
CID 18343367
(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 66675210
(1S,13R)-1-ethyl-13-methyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90674406
(1R,14S)-14-amino-1-ethyl-6-fluorotricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 139492308
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
CID 57221306
7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343453
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343373
1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126635647

Frequently Asked Questions

What is the IUPAC name of (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol?
The IUPAC name of (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol (CID 90679415) is (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol.
What is the SMILES notation for (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol?
The canonical SMILES for (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol is CC[C@@]12CC=CCC(Cc3ccc(O)cc31)[C@@H]2N.
What is the InChIKey of (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol?
The InChIKey is DONFCAMIZWSTQQ-FFPFEORLSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-16-8-4-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h3-4,6-7,10,12,15,18H,2,5,8-9,17H2,1H3/t12?,15-,16+/m0/s1.
What are the key properties of (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol?
(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol has a molecular weight of 243.35 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol is sourced from PubChem (CID 90679415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).