(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C10H20N2O — CID 15758755

IUPAC(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCCN1C[C@H]2CN(C)C[C@@H](C1)C2O
InChIInChI=1S/C10H20N2O/c1-3-12-6-8-4-11(2)5-9(7-12)10(8)13/h8-10,13H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyIQVKNTDTLCRWJQ-ULKQDVFKSA-N
MW184.28 g/mol
LogP-0.14
Rot. Bonds1

About (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 15758755) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID15758755
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCCN1C[C@H]2CN(C)C[C@@H](C1)C2O
InChIInChI=1S/C10H20N2O/c1-3-12-6-8-4-11(2)5-9(7-12)10(8)13/h8-10,13H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyIQVKNTDTLCRWJQ-ULKQDVFKSA-N
XLogP-0.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 115013655
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) benzoate
CID 14368022
(6R,9R)-6-(dimethylamino)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 70409149

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 15758755) is (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is CCN1C[C@H]2CN(C)C[C@@H](C1)C2O.
What is the InChIKey of (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is IQVKNTDTLCRWJQ-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12-6-8-4-11(2)5-9(7-12)10(8)13/h8-10,13H,3-7H2,1-2H3/t8-,9+,10?.
What are the key properties of (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 184.28 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 15758755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).