10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine

C17H24BrNO2 — CID 63513352

IUPAC10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
SMILESCCNC1CC(C)CCc2c(Br)cc3c(c21)OCCCO3
InChIInChI=1S/C17H24BrNO2/c1-3-19-14-9-11(2)5-6-12-13(18)10-15-17(16(12)14)21-8-4-7-20-15/h10-11,14,19H,3-9H2,1-2H3
InChIKeyYSLCXWRVUVLUQC-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.23
Rot. Bonds2

About 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine

10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine (PubChem CID 63513352) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine.

Molecular Properties

Compound Name10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
PubChem CID63513352
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
SMILESCCNC1CC(C)CCc2c(Br)cc3c(c21)OCCCO3
InChIInChI=1S/C17H24BrNO2/c1-3-19-14-9-11(2)5-6-12-13(18)10-15-17(16(12)14)21-8-4-7-20-15/h10-11,14,19H,3-9H2,1-2H3
InChIKeyYSLCXWRVUVLUQC-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The IUPAC name of 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine (CID 63513352) is 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine.
What is the SMILES notation for 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The canonical SMILES for 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine is CCNC1CC(C)CCc2c(Br)cc3c(c21)OCCCO3.
What is the InChIKey of 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The InChIKey is YSLCXWRVUVLUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-3-19-14-9-11(2)5-6-12-13(18)10-15-17(16(12)14)21-8-4-7-20-15/h10-11,14,19H,3-9H2,1-2H3.
What are the key properties of 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine has a molecular weight of 354.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine is sourced from PubChem (CID 63513352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).