(2S)-1,2,3,3-tetramethylazepane

C10H21N — CID 134581550

IUPAC(2S)-1,2,3,3-tetramethylazepane
SMILESC[C@@H]1N(C)CCCCC1(C)C
InChIInChI=1S/C10H21N/c1-9-10(2,3)7-5-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyZKPIZWFENWJNRF-VIFPVBQESA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds

About (2S)-1,2,3,3-tetramethylazepane

(2S)-1,2,3,3-tetramethylazepane (PubChem CID 134581550) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-1,2,3,3-tetramethylazepane.

Molecular Properties

Compound Name(2S)-1,2,3,3-tetramethylazepane
PubChem CID134581550
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-1,2,3,3-tetramethylazepane
SMILESC[C@@H]1N(C)CCCCC1(C)C
InChIInChI=1S/C10H21N/c1-9-10(2,3)7-5-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyZKPIZWFENWJNRF-VIFPVBQESA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,3,3-tetramethylazepane?
The IUPAC name of (2S)-1,2,3,3-tetramethylazepane (CID 134581550) is (2S)-1,2,3,3-tetramethylazepane.
What is the SMILES notation for (2S)-1,2,3,3-tetramethylazepane?
The canonical SMILES for (2S)-1,2,3,3-tetramethylazepane is C[C@@H]1N(C)CCCCC1(C)C.
What is the InChIKey of (2S)-1,2,3,3-tetramethylazepane?
The InChIKey is ZKPIZWFENWJNRF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N/c1-9-10(2,3)7-5-6-8-11(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1,2,3,3-tetramethylazepane?
(2S)-1,2,3,3-tetramethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,3,3-tetramethylazepane is sourced from PubChem (CID 134581550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).