N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H25N3O — CID 62712529

IUPACN-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1ccc(OC)nc1
InChIInChI=1S/C16H25N3O/c1-3-17-12-9-13-5-4-6-14(10-12)19(13)15-7-8-16(20-2)18-11-15/h7-8,11-14,17H,3-6,9-10H2,1-2H3
InChIKeyOCMYEGFYQFHETN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712529) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712529
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1ccc(OC)nc1
InChIInChI=1S/C16H25N3O/c1-3-17-12-9-13-5-4-6-14(10-12)19(13)15-7-8-16(20-2)18-11-15/h7-8,11-14,17H,3-6,9-10H2,1-2H3
InChIKeyOCMYEGFYQFHETN-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712529) is N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OCMYEGFYQFHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-12-9-13-5-4-6-14(10-12)19(13)15-7-8-16(20-2)18-11-15/h7-8,11-14,17H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 275.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).