1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane

C16H31N — CID 58104033

IUPAC1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC(C)C1C2(C)CC1(C)C(C)N(C(C)C)C2C
InChIInChI=1S/C16H31N/c1-10(2)14-15(7)9-16(14,8)13(6)17(11(3)4)12(15)5/h10-14H,9H2,1-8H3
InChIKeyCOZVCAKOHSXWOK-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.18
Rot. Bonds2

About 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane

1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane (PubChem CID 58104033) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane
PubChem CID58104033
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane
SMILESCC(C)C1C2(C)CC1(C)C(C)N(C(C)C)C2C
InChIInChI=1S/C16H31N/c1-10(2)14-15(7)9-16(14,8)13(6)17(11(3)4)12(15)5/h10-14H,9H2,1-8H3
InChIKeyCOZVCAKOHSXWOK-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane (CID 58104033) is 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane is CC(C)C1C2(C)CC1(C)C(C)N(C(C)C)C2C.
What is the InChIKey of 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is COZVCAKOHSXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-10(2)14-15(7)9-16(14,8)13(6)17(11(3)4)12(15)5/h10-14H,9H2,1-8H3.
What are the key properties of 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane?
1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 237.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 58104033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).