(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane

C10H19N — CID 135189684

IUPAC(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane
SMILESC[C@@H]1C[C@@H]2CN1CC(C)(C)C2
InChIInChI=1S/C10H19N/c1-8-4-9-5-10(2,3)7-11(8)6-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyPWJXTAWZHVHFEE-BDAKNGLRSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds

About (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane

(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane (PubChem CID 135189684) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane
PubChem CID135189684
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane
SMILESC[C@@H]1C[C@@H]2CN1CC(C)(C)C2
InChIInChI=1S/C10H19N/c1-8-4-9-5-10(2,3)7-11(8)6-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyPWJXTAWZHVHFEE-BDAKNGLRSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane?
The IUPAC name of (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane (CID 135189684) is (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane is C[C@@H]1C[C@@H]2CN1CC(C)(C)C2.
What is the InChIKey of (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane?
The InChIKey is PWJXTAWZHVHFEE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19N/c1-8-4-9-5-10(2,3)7-11(8)6-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane?
(5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3,3,7-trimethyl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 135189684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).