9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H26N2 — CID 114095813

IUPAC9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2C1C2C3CCC(C3)C21
InChIInChI=1S/C16H26N2/c17-11-7-12-2-1-3-13(8-11)18(12)16-14-9-4-5-10(6-9)15(14)16/h9-16H,1-8,17H2
InChIKeyFKJGDRQSHJZOOL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.38
Rot. Bonds1

About 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 114095813) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID114095813
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2C1C2C3CCC(C3)C21
InChIInChI=1S/C16H26N2/c17-11-7-12-2-1-3-13(8-11)18(12)16-14-9-4-5-10(6-9)15(14)16/h9-16H,1-8,17H2
InChIKeyFKJGDRQSHJZOOL-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 114095813) is 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2C1C2C3CCC(C3)C21.
What is the InChIKey of 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FKJGDRQSHJZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-11-7-12-2-1-3-13(8-11)18(12)16-14-9-4-5-10(6-9)15(14)16/h9-16H,1-8,17H2.
What are the key properties of 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 114095813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).