N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2O — CID 61232456

IUPACN-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O/c1-2-7-17(14-5-8-18-9-6-14)15-10-12-3-4-13(11-15)16-12/h12-16H,2-11H2,1H3
InChIKeyHAQCJLCOBYMBCL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds4

About N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232456) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232456
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O/c1-2-7-17(14-5-8-18-9-6-14)15-10-12-3-4-13(11-15)16-12/h12-16H,2-11H2,1H3
InChIKeyHAQCJLCOBYMBCL-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838
N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64752902
N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62873306
N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230843
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-(oxolan-3-yl)-N-propylpiperidin-4-amine
CID 63564920
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide
CID 61231913
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65088688
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232456) is N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C1CCOCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HAQCJLCOBYMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-7-17(14-5-8-18-9-6-14)15-10-12-3-4-13(11-15)16-12/h12-16H,2-11H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).