1,3,3,6-tetramethylazepane

C10H21N — CID 18711353

IUPAC1,3,3,6-tetramethylazepane
SMILESCC1CCC(C)(C)CN(C)C1
InChIInChI=1S/C10H21N/c1-9-5-6-10(2,3)8-11(4)7-9/h9H,5-8H2,1-4H3
InChIKeyYVLXJCWUKPIBBH-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds

About 1,3,3,6-tetramethylazepane

1,3,3,6-tetramethylazepane (PubChem CID 18711353) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,3,3,6-tetramethylazepane.

Molecular Properties

Compound Name1,3,3,6-tetramethylazepane
PubChem CID18711353
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,3,3,6-tetramethylazepane
SMILESCC1CCC(C)(C)CN(C)C1
InChIInChI=1S/C10H21N/c1-9-5-6-10(2,3)8-11(4)7-9/h9H,5-8H2,1-4H3
InChIKeyYVLXJCWUKPIBBH-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,6-tetramethylazepane?
The IUPAC name of 1,3,3,6-tetramethylazepane (CID 18711353) is 1,3,3,6-tetramethylazepane.
What is the SMILES notation for 1,3,3,6-tetramethylazepane?
The canonical SMILES for 1,3,3,6-tetramethylazepane is CC1CCC(C)(C)CN(C)C1.
What is the InChIKey of 1,3,3,6-tetramethylazepane?
The InChIKey is YVLXJCWUKPIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9-5-6-10(2,3)8-11(4)7-9/h9H,5-8H2,1-4H3.
What are the key properties of 1,3,3,6-tetramethylazepane?
1,3,3,6-tetramethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,6-tetramethylazepane is sourced from PubChem (CID 18711353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).