9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C12H22N2O — CID 65471249

IUPAC9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1COC1)C2
InChIInChI=1S/C12H22N2O/c1-14-11-3-2-4-12(14)6-9(5-11)13-10-7-15-8-10/h9-13H,2-8H2,1H3
InChIKeyGGCXHYQZHJZXCQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds2

About 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471249) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471249
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1COC1)C2
InChIInChI=1S/C12H22N2O/c1-14-11-3-2-4-12(14)6-9(5-11)13-10-7-15-8-10/h9-13H,2-8H2,1H3
InChIKeyGGCXHYQZHJZXCQ-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
CID 65471104
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64731674
N-(azetidin-3-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130679247
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471249) is 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NC1COC1)C2.
What is the InChIKey of 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GGCXHYQZHJZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-11-3-2-4-12(14)6-9(5-11)13-10-7-15-8-10/h9-13H,2-8H2,1H3.
What are the key properties of 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).