(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane

C10H19NO — CID 141326894

IUPAC(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCCCN1C[C@@H]2CC[C@@H](C1)O2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyOZJRRLNCFJEQBB-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds3

About (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane

(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 141326894) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID141326894
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCCCN1C[C@@H]2CC[C@@H](C1)O2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyOZJRRLNCFJEQBB-UWVGGRQHSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-methoxypropyl)-
CID 97169
6-Butyl-8-oxa-6-azabicyclo(3.2.1)octane
CID 97170
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
US10214537, Example 164
CID 132220337
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(2-ethoxyethoxy)propyl)-
CID 3056550
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
4-Tetrahydrofurfurylmorpholine
CID 12075954
3-(2-Bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane hydrobromide
CID 155819682
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 75400617
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol
CID 66370951

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 141326894) is (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane is CCCCN1C[C@@H]2CC[C@@H](C1)O2.
What is the InChIKey of (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is OZJRRLNCFJEQBB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
(1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-butyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 141326894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).