3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane

C12H19N — CID 130736615

IUPAC3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane
SMILESC1CC(N2CC3C4CCC(C4)C32)C1
InChIInChI=1S/C12H19N/c1-2-10(3-1)13-7-11-8-4-5-9(6-8)12(11)13/h8-12H,1-7H2
InChIKeyZLYWFCFAGNTULB-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.27
Rot. Bonds1

About 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane

3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane (PubChem CID 130736615) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane
PubChem CID130736615
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane
SMILESC1CC(N2CC3C4CCC(C4)C32)C1
InChIInChI=1S/C12H19N/c1-2-10(3-1)13-7-11-8-4-5-9(6-8)12(11)13/h8-12H,1-7H2
InChIKeyZLYWFCFAGNTULB-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114095813
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864
2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone
CID 130701739
6-cyclobutyl-6-azabicyclo[3.2.0]heptane
CID 130669812
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
tricyclo[4.3.1.12,5]undecane
CID 13070377
3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 105439475
2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050347
1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
CID 130667681
3-but-2-ynyl-3-azatricyclo[4.2.1.02,5]nonane
CID 130683727

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane?
The IUPAC name of 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane (CID 130736615) is 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane is C1CC(N2CC3C4CCC(C4)C32)C1.
What is the InChIKey of 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane?
The InChIKey is ZLYWFCFAGNTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-10(3-1)13-7-11-8-4-5-9(6-8)12(11)13/h8-12H,1-7H2.
What are the key properties of 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane?
3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane has a molecular weight of 177.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 130736615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).