6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane

C13H25N — CID 174322129

IUPAC6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC(C)CN1C2CC(C(C)C)CC1C2
InChIInChI=1S/C13H25N/c1-9(2)8-14-12-5-11(10(3)4)6-13(14)7-12/h9-13H,5-8H2,1-4H3
InChIKeySWUCNRXCCZKRMY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds3

About 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane

6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 174322129) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID174322129
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC(C)CN1C2CC(C(C)C)CC1C2
InChIInChI=1S/C13H25N/c1-9(2)8-14-12-5-11(10(3)4)6-13(14)7-12/h9-13H,5-8H2,1-4H3
InChIKeySWUCNRXCCZKRMY-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane (CID 174322129) is 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane is CC(C)CN1C2CC(C(C)C)CC1C2.
What is the InChIKey of 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is SWUCNRXCCZKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)8-14-12-5-11(10(3)4)6-13(14)7-12/h9-13H,5-8H2,1-4H3.
What are the key properties of 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane?
6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 195.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 174322129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).