15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

C18H27NO — CID 139492239

IUPAC15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
SMILESCCc1cc(O)cc2c1CC1CCCCCC2(C)C1N
InChIInChI=1S/C18H27NO/c1-3-12-9-14(20)11-16-15(12)10-13-7-5-4-6-8-18(16,2)17(13)19/h9,11,13,17,20H,3-8,10,19H2,1-2H3
InChIKeyODONPKCLFHWSSV-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.68
Rot. Bonds1

About 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol (PubChem CID 139492239) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol.

Molecular Properties

Compound Name15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
PubChem CID139492239
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
SMILESCCc1cc(O)cc2c1CC1CCCCCC2(C)C1N
InChIInChI=1S/C18H27NO/c1-3-12-9-14(20)11-16-15(12)10-13-7-5-4-6-8-18(16,2)17(13)19/h9,11,13,17,20H,3-8,10,19H2,1-2H3
InChIKeyODONPKCLFHWSSV-UHFFFAOYSA-N
XLogP3.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The IUPAC name of 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol (CID 139492239) is 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol.
What is the SMILES notation for 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The canonical SMILES for 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol is CCc1cc(O)cc2c1CC1CCCCCC2(C)C1N.
What is the InChIKey of 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The InChIKey is ODONPKCLFHWSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-12-9-14(20)11-16-15(12)10-13-7-5-4-6-8-18(16,2)17(13)19/h9,11,13,17,20H,3-8,10,19H2,1-2H3.
What are the key properties of 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol has a molecular weight of 273.42 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol is sourced from PubChem (CID 139492239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).