3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine

C14H17BrN2 — CID 177161440

IUPAC3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
SMILESCC1c2cccc3c(Br)cn(c23)CC1N(C)C
InChIInChI=1S/C14H17BrN2/c1-9-10-5-4-6-11-12(15)7-17(14(10)11)8-13(9)16(2)3/h4-7,9,13H,8H2,1-3H3
InChIKeyFBICGMQJEUCCFX-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.45
Rot. Bonds1

About 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine

3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine (PubChem CID 177161440) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine.

Molecular Properties

Compound Name3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
PubChem CID177161440
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine
SMILESCC1c2cccc3c(Br)cn(c23)CC1N(C)C
InChIInChI=1S/C14H17BrN2/c1-9-10-5-4-6-11-12(15)7-17(14(10)11)8-13(9)16(2)3/h4-7,9,13H,8H2,1-3H3
InChIKeyFBICGMQJEUCCFX-UHFFFAOYSA-N
XLogP3.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The IUPAC name of 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine (CID 177161440) is 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine.
What is the SMILES notation for 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The canonical SMILES for 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine is CC1c2cccc3c(Br)cn(c23)CC1N(C)C.
What is the InChIKey of 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
The InChIKey is FBICGMQJEUCCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-9-10-5-4-6-11-12(15)7-17(14(10)11)8-13(9)16(2)3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine?
3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine has a molecular weight of 293.21 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N,9-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-amine is sourced from PubChem (CID 177161440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).