8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene

C18H32N2 — CID 166753041

IUPAC8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
SMILESCC(C)C(C)(C)N1C2=C(CCCCC2)N2CCCCC21
InChIInChI=1S/C18H32N2/c1-14(2)18(3,4)20-16-11-7-5-6-10-15(16)19-13-9-8-12-17(19)20/h14,17H,5-13H2,1-4H3
InChIKeyNFEJARRIHSLJLV-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.72
Rot. Bonds2

About 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene

8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene (PubChem CID 166753041) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene.

Molecular Properties

Compound Name8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
PubChem CID166753041
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
SMILESCC(C)C(C)(C)N1C2=C(CCCCC2)N2CCCCC21
InChIInChI=1S/C18H32N2/c1-14(2)18(3,4)20-16-11-7-5-6-10-15(16)19-13-9-8-12-17(19)20/h14,17H,5-13H2,1-4H3
InChIKeyNFEJARRIHSLJLV-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene?
The IUPAC name of 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene (CID 166753041) is 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene.
What is the SMILES notation for 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene?
The canonical SMILES for 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene is CC(C)C(C)(C)N1C2=C(CCCCC2)N2CCCCC21.
What is the InChIKey of 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene?
The InChIKey is NFEJARRIHSLJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)18(3,4)20-16-11-7-5-6-10-15(16)19-13-9-8-12-17(19)20/h14,17H,5-13H2,1-4H3.
What are the key properties of 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene?
8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene has a molecular weight of 276.47 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene is sourced from PubChem (CID 166753041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).