3-ethyl-1-azatricyclo[3.2.1.02,7]octane

C9H15N — CID 131852005

IUPAC3-ethyl-1-azatricyclo[3.2.1.02,7]octane
SMILESCCC1CC2CC3C1N3C2
InChIInChI=1S/C9H15N/c1-2-7-3-6-4-8-9(7)10(8)5-6/h6-9H,2-5H2,1H3
InChIKeyMBIQXMDAOOUNCV-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.49
Rot. Bonds1

About 3-ethyl-1-azatricyclo[3.2.1.02,7]octane

3-ethyl-1-azatricyclo[3.2.1.02,7]octane (PubChem CID 131852005) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethyl-1-azatricyclo[3.2.1.02,7]octane.

Molecular Properties

Compound Name3-ethyl-1-azatricyclo[3.2.1.02,7]octane
PubChem CID131852005
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethyl-1-azatricyclo[3.2.1.02,7]octane
SMILESCCC1CC2CC3C1N3C2
InChIInChI=1S/C9H15N/c1-2-7-3-6-4-8-9(7)10(8)5-6/h6-9H,2-5H2,1H3
InChIKeyMBIQXMDAOOUNCV-UHFFFAOYSA-N
XLogP1.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 147893042
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 69029446
(1R,15S,17S)-7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
CID 169319952
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-amine
CID 172506215
(1R,15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 70800104
(1R,15S,17S)-17-ethyl-7-isocyano-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
CID 172506249
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine
CID 155370671
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol
CID 162901586

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-azatricyclo[3.2.1.02,7]octane?
The IUPAC name of 3-ethyl-1-azatricyclo[3.2.1.02,7]octane (CID 131852005) is 3-ethyl-1-azatricyclo[3.2.1.02,7]octane.
What is the SMILES notation for 3-ethyl-1-azatricyclo[3.2.1.02,7]octane?
The canonical SMILES for 3-ethyl-1-azatricyclo[3.2.1.02,7]octane is CCC1CC2CC3C1N3C2.
What is the InChIKey of 3-ethyl-1-azatricyclo[3.2.1.02,7]octane?
The InChIKey is MBIQXMDAOOUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-7-3-6-4-8-9(7)10(8)5-6/h6-9H,2-5H2,1H3.
What are the key properties of 3-ethyl-1-azatricyclo[3.2.1.02,7]octane?
3-ethyl-1-azatricyclo[3.2.1.02,7]octane has a molecular weight of 137.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-azatricyclo[3.2.1.02,7]octane is sourced from PubChem (CID 131852005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).