[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol

C16H19NO — CID 116983775

IUPAC[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol
SMILESOCC1(c2cn3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C16H19NO/c18-11-16(7-3-8-16)14-10-17-9-2-5-12-4-1-6-13(14)15(12)17/h1,4,6,10,18H,2-3,5,7-9,11H2
InChIKeyXIVVISZQHSKZGY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.00
Rot. Bonds2

About [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol

[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol (PubChem CID 116983775) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol
PubChem CID116983775
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol
SMILESOCC1(c2cn3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C16H19NO/c18-11-16(7-3-8-16)14-10-17-9-2-5-12-4-1-6-13(14)15(12)17/h1,4,6,10,18H,2-3,5,7-9,11H2
InChIKeyXIVVISZQHSKZGY-UHFFFAOYSA-N
XLogP3.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol?
The IUPAC name of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol (CID 116983775) is [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol is OCC1(c2cn3c4c(cccc24)CCC3)CCC1.
What is the InChIKey of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol?
The InChIKey is XIVVISZQHSKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-11-16(7-3-8-16)14-10-17-9-2-5-12-4-1-6-13(14)15(12)17/h1,4,6,10,18H,2-3,5,7-9,11H2.
What are the key properties of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol?
[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol has a molecular weight of 241.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol is sourced from PubChem (CID 116983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).