(4R)-4-methyl-1-(oxan-4-yl)azepane

C12H23NO — CID 66580615

IUPAC(4R)-4-methyl-1-(oxan-4-yl)azepane
SMILESC[C@@H]1CCCN(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-3-2-7-13(8-4-11)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyYACUBERIPWPCTJ-LLVKDONJSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About (4R)-4-methyl-1-(oxan-4-yl)azepane

(4R)-4-methyl-1-(oxan-4-yl)azepane (PubChem CID 66580615) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4R)-4-methyl-1-(oxan-4-yl)azepane.

Molecular Properties

Compound Name(4R)-4-methyl-1-(oxan-4-yl)azepane
PubChem CID66580615
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4R)-4-methyl-1-(oxan-4-yl)azepane
SMILESC[C@@H]1CCCN(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-3-2-7-13(8-4-11)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyYACUBERIPWPCTJ-LLVKDONJSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-(oxan-4-yl)azepane?
The IUPAC name of (4R)-4-methyl-1-(oxan-4-yl)azepane (CID 66580615) is (4R)-4-methyl-1-(oxan-4-yl)azepane.
What is the SMILES notation for (4R)-4-methyl-1-(oxan-4-yl)azepane?
The canonical SMILES for (4R)-4-methyl-1-(oxan-4-yl)azepane is C[C@@H]1CCCN(C2CCOCC2)CC1.
What is the InChIKey of (4R)-4-methyl-1-(oxan-4-yl)azepane?
The InChIKey is YACUBERIPWPCTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-3-2-7-13(8-4-11)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-4-methyl-1-(oxan-4-yl)azepane?
(4R)-4-methyl-1-(oxan-4-yl)azepane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-(oxan-4-yl)azepane is sourced from PubChem (CID 66580615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).