2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine

C17H25N3 — CID 65470527

IUPAC2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
SMILESCN1C2CCCC1CC(N1Cc3ccc(N)cc3C1)C2
InChIInChI=1S/C17H25N3/c1-19-15-3-2-4-16(19)9-17(8-15)20-10-12-5-6-14(18)7-13(12)11-20/h5-7,15-17H,2-4,8-11,18H2,1H3
InChIKeyWERUUAJDOINFRV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.60
Rot. Bonds1

About 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine

2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine (PubChem CID 65470527) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
PubChem CID65470527
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
SMILESCN1C2CCCC1CC(N1Cc3ccc(N)cc3C1)C2
InChIInChI=1S/C17H25N3/c1-19-15-3-2-4-16(19)9-17(8-15)20-10-12-5-6-14(18)7-13(12)11-20/h5-7,15-17H,2-4,8-11,18H2,1H3
InChIKeyWERUUAJDOINFRV-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine (CID 65470527) is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine is CN1C2CCCC1CC(N1Cc3ccc(N)cc3C1)C2.
What is the InChIKey of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine?
The InChIKey is WERUUAJDOINFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-19-15-3-2-4-16(19)9-17(8-15)20-10-12-5-6-14(18)7-13(12)11-20/h5-7,15-17H,2-4,8-11,18H2,1H3.
What are the key properties of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine?
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 65470527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).