9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine

C18H29N3 — CID 62712555

IUPAC9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(CCCN1C2CCCC1CC(N)C2)c1ccccc1
InChIInChI=1S/C18H29N3/c1-20(16-7-3-2-4-8-16)11-6-12-21-17-9-5-10-18(21)14-15(19)13-17/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3
InChIKeyKFODJBOSYYHMPT-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds5

About 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712555) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712555
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(CCCN1C2CCCC1CC(N)C2)c1ccccc1
InChIInChI=1S/C18H29N3/c1-20(16-7-3-2-4-8-16)11-6-12-21-17-9-5-10-18(21)14-15(19)13-17/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3
InChIKeyKFODJBOSYYHMPT-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712555) is 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine is CN(CCCN1C2CCCC1CC(N)C2)c1ccccc1.
What is the InChIKey of 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KFODJBOSYYHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(16-7-3-2-4-8-16)11-6-12-21-17-9-5-10-18(21)14-15(19)13-17/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3.
What are the key properties of 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).