1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

C19H30N2 — CID 162296028

IUPAC1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)c(N2C(C)C3(C)CCC2(C)C3(C)C)c(C)n1
InChIInChI=1S/C19H30N2/c1-12-11-13(2)20-14(3)16(12)21-15(4)18(7)9-10-19(21,8)17(18,5)6/h11,15H,9-10H2,1-8H3
InChIKeyUWDVOVUUWLULKN-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.80
Rot. Bonds1

About 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 162296028) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
PubChem CID162296028
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)c(N2C(C)C3(C)CCC2(C)C3(C)C)c(C)n1
InChIInChI=1S/C19H30N2/c1-12-11-13(2)20-14(3)16(12)21-15(4)18(7)9-10-19(21,8)17(18,5)6/h11,15H,9-10H2,1-8H3
InChIKeyUWDVOVUUWLULKN-UHFFFAOYSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (CID 162296028) is 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is Cc1cc(C)c(N2C(C)C3(C)CCC2(C)C3(C)C)c(C)n1.
What is the InChIKey of 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is UWDVOVUUWLULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-12-11-13(2)20-14(3)16(12)21-15(4)18(7)9-10-19(21,8)17(18,5)6/h11,15H,9-10H2,1-8H3.
What are the key properties of 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 286.46 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162296028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).