N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H24N2O — CID 55208858

IUPACN-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC(CNC2CN3CCC2CC3)CCO1
InChIInChI=1S/C13H24N2O/c1-5-15-6-2-12(1)13(10-15)14-9-11-3-7-16-8-4-11/h11-14H,1-10H2
InChIKeyNOPHBADVUIIIEJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds3

About N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 55208858) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID55208858
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC(CNC2CN3CCC2CC3)CCO1
InChIInChI=1S/C13H24N2O/c1-5-15-6-2-12(1)13(10-15)14-9-11-3-7-16-8-4-11/h11-14H,1-10H2
InChIKeyNOPHBADVUIIIEJ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
N-[(4-ethylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60971601
N-[(4-tert-butylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104574757
N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43201367
3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cyclohexan-1-ol
CID 114146600
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
tert-butyl 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103759161
N-(thian-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80596482
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218
4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 55208858) is N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is C1CC(CNC2CN3CCC2CC3)CCO1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is NOPHBADVUIIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-15-6-2-12(1)13(10-15)14-9-11-3-7-16-8-4-11/h11-14H,1-10H2.
What are the key properties of N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 55208858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).