8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C15H29N3O — CID 43131752

IUPAC8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCCN1CCOCC1)C2
InChIInChI=1S/C15H29N3O/c1-17-14-3-4-15(17)12-13(11-14)16-5-2-6-18-7-9-19-10-8-18/h13-16H,2-12H2,1H3
InChIKeyTZZFBOXZRKNIJI-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.92
Rot. Bonds5

About 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131752) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131752
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCCN1CCOCC1)C2
InChIInChI=1S/C15H29N3O/c1-17-14-3-4-15(17)12-13(11-14)16-5-2-6-18-7-9-19-10-8-18/h13-16H,2-12H2,1H3
InChIKeyTZZFBOXZRKNIJI-UHFFFAOYSA-N
XLogP0.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 43131752) is 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCCN1CCOCC1)C2.
What is the InChIKey of 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is TZZFBOXZRKNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17-14-3-4-15(17)12-13(11-14)16-5-2-6-18-7-9-19-10-8-18/h13-16H,2-12H2,1H3.
What are the key properties of 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-morpholin-4-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).