1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one

C15H28N2O2 — CID 79559959

IUPAC1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CC1CN(C)CCO1
InChIInChI=1S/C15H28N2O2/c1-13(18)10-14-6-4-3-5-7-17(14)12-15-11-16(2)8-9-19-15/h14-15H,3-12H2,1-2H3
InChIKeyZTYKGSWCQJYVKH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.54
Rot. Bonds4

About 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one

1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one (PubChem CID 79559959) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
PubChem CID79559959
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CC1CN(C)CCO1
InChIInChI=1S/C15H28N2O2/c1-13(18)10-14-6-4-3-5-7-17(14)12-15-11-16(2)8-9-19-15/h14-15H,3-12H2,1-2H3
InChIKeyZTYKGSWCQJYVKH-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one (CID 79559959) is 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1CC1CN(C)CCO1.
What is the InChIKey of 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one?
The InChIKey is ZTYKGSWCQJYVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(18)10-14-6-4-3-5-7-17(14)12-15-11-16(2)8-9-19-15/h14-15H,3-12H2,1-2H3.
What are the key properties of 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one?
1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one is sourced from PubChem (CID 79559959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).