4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C16H22N2 — CID 134279626

IUPAC4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESC1=CN2CCNCC3=CCCC(=C32)C1C1CCC1
InChIInChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h5,7,9,12,14,17H,1-4,6,8,10-11H2
InChIKeyDUVILLJCESHJDQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.81
Rot. Bonds1

About 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279626) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279626
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESC1=CN2CCNCC3=CCCC(=C32)C1C1CCC1
InChIInChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h5,7,9,12,14,17H,1-4,6,8,10-11H2
InChIKeyDUVILLJCESHJDQ-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279491
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279507
(4S)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279543
4-(2,2-Difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279615
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
CID 134279572
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279574
(4S)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279583
(4R)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279591
(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279603
(4R)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279640
Spiro[1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-4,1'-cyclopropane]
CID 137521947
10-Methylspiro[1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-4,1'-cyclobutane]
CID 137521948

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279626) is 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is C1=CN2CCNCC3=CCCC(=C32)C1C1CCC1.
What is the InChIKey of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is DUVILLJCESHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h5,7,9,12,14,17H,1-4,6,8,10-11H2.
What are the key properties of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 242.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).