(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine

C10H19NO — CID 138987517

IUPAC(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
SMILESCO[C@]12CCC[C@H](C[C@@H](N)C1)C2
InChIInChI=1S/C10H19NO/c1-12-10-4-2-3-8(6-10)5-9(11)7-10/h8-9H,2-7,11H2,1H3/t8-,9-,10+/m1/s1
InChIKeyWLGJDGJPKCTEHH-BBBLOLIVSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds1

About (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine

(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine (PubChem CID 138987517) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
PubChem CID138987517
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
SMILESCO[C@]12CCC[C@H](C[C@@H](N)C1)C2
InChIInChI=1S/C10H19NO/c1-12-10-4-2-3-8(6-10)5-9(11)7-10/h8-9H,2-7,11H2,1H3/t8-,9-,10+/m1/s1
InChIKeyWLGJDGJPKCTEHH-BBBLOLIVSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
CID 99984864
1-methoxyadamantane
CID 584854
2-[[(1S,3R,5R)-1-methoxy-3-bicyclo[3.3.1]nonanyl]carbamoyl]spiro[3.3]heptane-2-carboxylic acid
CID 166289964
5-methoxyadamantan-2-amine
CID 59574132
(1S,3S)-5-methoxyadamantan-2-amine
CID 99645706
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 163654965
1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
CID 123912108
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 163608342
(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
CID 126641157
1-methyltricyclo[4.3.1.02,9]decan-4-amine
CID 143705618
1-tert-butyl-3-ethylbicyclo[3.3.1]nonane
CID 176632056

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine?
The IUPAC name of (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine (CID 138987517) is (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine is CO[C@]12CCC[C@H](C[C@@H](N)C1)C2.
What is the InChIKey of (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine?
The InChIKey is WLGJDGJPKCTEHH-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-10-4-2-3-8(6-10)5-9(11)7-10/h8-9H,2-7,11H2,1H3/t8-,9-,10+/m1/s1.
What are the key properties of (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine?
(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 138987517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).