4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane

C16H31N3 — CID 70868555

IUPAC4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
SMILESCCC1C(C(C)C)C2C3CCCNC3NC2N1CC
InChIInChI=1S/C16H31N3/c1-5-12-13(10(3)4)14-11-8-7-9-17-15(11)18-16(14)19(12)6-2/h10-18H,5-9H2,1-4H3
InChIKeyPTOIFUJVMYHEFP-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.24
Rot. Bonds3

About 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane

4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane (PubChem CID 70868555) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
PubChem CID70868555
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
SMILESCCC1C(C(C)C)C2C3CCCNC3NC2N1CC
InChIInChI=1S/C16H31N3/c1-5-12-13(10(3)4)14-11-8-7-9-17-15(11)18-16(14)19(12)6-2/h10-18H,5-9H2,1-4H3
InChIKeyPTOIFUJVMYHEFP-UHFFFAOYSA-N
XLogP2.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane (CID 70868555) is 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane is CCC1C(C(C)C)C2C3CCCNC3NC2N1CC.
What is the InChIKey of 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The InChIKey is PTOIFUJVMYHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-12-13(10(3)4)14-11-8-7-9-17-15(11)18-16(14)19(12)6-2/h10-18H,5-9H2,1-4H3.
What are the key properties of 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane has a molecular weight of 265.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 70868555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).