2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide

C14H27N3O — CID 62713460

IUPAC2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
SMILESCCCNC1CC2CCCC(C1)N2C(C)C(N)=O
InChIInChI=1S/C14H27N3O/c1-3-7-16-11-8-12-5-4-6-13(9-11)17(12)10(2)14(15)18/h10-13,16H,3-9H2,1-2H3,(H2,15,18)
InChIKeyMPTKQJRVOGIYOG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds5

About 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide

2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide (PubChem CID 62713460) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide.

Molecular Properties

Compound Name2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
PubChem CID62713460
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
SMILESCCCNC1CC2CCCC(C1)N2C(C)C(N)=O
InChIInChI=1S/C14H27N3O/c1-3-7-16-11-8-12-5-4-6-13(9-11)17(12)10(2)14(15)18/h10-13,16H,3-9H2,1-2H3,(H2,15,18)
InChIKeyMPTKQJRVOGIYOG-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The IUPAC name of 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide (CID 62713460) is 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide.
What is the SMILES notation for 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The canonical SMILES for 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide is CCCNC1CC2CCCC(C1)N2C(C)C(N)=O.
What is the InChIKey of 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The InChIKey is MPTKQJRVOGIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-7-16-11-8-12-5-4-6-13(9-11)17(12)10(2)14(15)18/h10-13,16H,3-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide is sourced from PubChem (CID 62713460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).