(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane

C15H29N — CID 174260848

IUPAC(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane
SMILESC[C@@H]1[C@H]2CC(C)(C)CCN(C)CC[C@]1(C)C2
InChIInChI=1S/C15H29N/c1-12-13-10-14(2,3)6-8-16(5)9-7-15(12,4)11-13/h12-13H,6-11H2,1-5H3/t12-,13+,15-/m1/s1
InChIKeyATSFJZDWYIFWLJ-VNHYZAJKSA-N
MW223.40 g/mol
LogP3.79
Rot. Bonds

About (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane

(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane (PubChem CID 174260848) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane.

Molecular Properties

Compound Name(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane
PubChem CID174260848
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane
SMILESC[C@@H]1[C@H]2CC(C)(C)CCN(C)CC[C@]1(C)C2
InChIInChI=1S/C15H29N/c1-12-13-10-14(2,3)6-8-16(5)9-7-15(12,4)11-13/h12-13H,6-11H2,1-5H3/t12-,13+,15-/m1/s1
InChIKeyATSFJZDWYIFWLJ-VNHYZAJKSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane 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 (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane?
The IUPAC name of (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane (CID 174260848) is (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane.
What is the SMILES notation for (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane?
The canonical SMILES for (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane is C[C@@H]1[C@H]2CC(C)(C)CCN(C)CC[C@]1(C)C2.
What is the InChIKey of (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane?
The InChIKey is ATSFJZDWYIFWLJ-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H29N/c1-12-13-10-14(2,3)6-8-16(5)9-7-15(12,4)11-13/h12-13H,6-11H2,1-5H3/t12-,13+,15-/m1/s1.
What are the key properties of (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane?
(1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane has a molecular weight of 223.40 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,10R)-1,4,7,7,10-pentamethyl-4-azabicyclo[7.1.1]undecane is sourced from PubChem (CID 174260848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).