3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane

C14H26N2 — CID 79677760

IUPAC3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCCC1(CC)CN(C2CC3CCC(C2)N3)C1
InChIInChI=1S/C14H26N2/c1-3-14(4-2)9-16(10-14)13-7-11-5-6-12(8-13)15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyFSHRJGDNWONHKE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds3

About 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane

3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 79677760) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID79677760
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCCC1(CC)CN(C2CC3CCC(C2)N3)C1
InChIInChI=1S/C14H26N2/c1-3-14(4-2)9-16(10-14)13-7-11-5-6-12(8-13)15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyFSHRJGDNWONHKE-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-2-azaspiro[3.6]decane
CID 79678702
3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 79677636
3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 79614848
3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine
CID 80561870
6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane
CID 79670501
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
3-butan-2-yl-8-azabicyclo[3.2.1]octane
CID 89423739
3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126845861
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
1-(8-azabicyclo[3.2.1]octan-3-yl)-4,4-dimethylpiperidine-2,6-dione
CID 62932602
4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 114762652
(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine
CID 79677032

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane (CID 79677760) is 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane is CCC1(CC)CN(C2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is FSHRJGDNWONHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-14(4-2)9-16(10-14)13-7-11-5-6-12(8-13)15-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 222.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylazetidin-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 79677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).