1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine

C11H19N — CID 54582372

IUPAC1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine
SMILESCC(N)C12CC3CC(CC1C3)C2
InChIInChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3
InChIKeyFXHSVMUTRZPZBF-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.16
Rot. Bonds1

About 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine

1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine (PubChem CID 54582372) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine.

Molecular Properties

Compound Name1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine
PubChem CID54582372
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine
SMILESCC(N)C12CC3CC(CC1C3)C2
InChIInChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3
InChIKeyFXHSVMUTRZPZBF-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine?
The IUPAC name of 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine (CID 54582372) is 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine.
What is the SMILES notation for 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine?
The canonical SMILES for 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine is CC(N)C12CC3CC(CC1C3)C2.
What is the InChIKey of 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine?
The InChIKey is FXHSVMUTRZPZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3.
What are the key properties of 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine?
1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine is sourced from PubChem (CID 54582372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).