(6S)-2,2,4,4,6-pentamethylazepane

C11H23N — CID 167029164

IUPAC(6S)-2,2,4,4,6-pentamethylazepane
SMILESC[C@@H]1CNC(C)(C)CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9-6-10(2,3)8-11(4,5)12-7-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyMOTKUFDZNXZSDS-VIFPVBQESA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds

About (6S)-2,2,4,4,6-pentamethylazepane

(6S)-2,2,4,4,6-pentamethylazepane (PubChem CID 167029164) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (6S)-2,2,4,4,6-pentamethylazepane.

Molecular Properties

Compound Name(6S)-2,2,4,4,6-pentamethylazepane
PubChem CID167029164
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(6S)-2,2,4,4,6-pentamethylazepane
SMILESC[C@@H]1CNC(C)(C)CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9-6-10(2,3)8-11(4,5)12-7-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyMOTKUFDZNXZSDS-VIFPVBQESA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,4,4,6-pentamethylazepane?
The IUPAC name of (6S)-2,2,4,4,6-pentamethylazepane (CID 167029164) is (6S)-2,2,4,4,6-pentamethylazepane.
What is the SMILES notation for (6S)-2,2,4,4,6-pentamethylazepane?
The canonical SMILES for (6S)-2,2,4,4,6-pentamethylazepane is C[C@@H]1CNC(C)(C)CC(C)(C)C1.
What is the InChIKey of (6S)-2,2,4,4,6-pentamethylazepane?
The InChIKey is MOTKUFDZNXZSDS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N/c1-9-6-10(2,3)8-11(4,5)12-7-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (6S)-2,2,4,4,6-pentamethylazepane?
(6S)-2,2,4,4,6-pentamethylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,4,4,6-pentamethylazepane is sourced from PubChem (CID 167029164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).