(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone

C14H26N2O2 — CID 127391716

IUPAC(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCCC1CCCN(C(=O)C2CN(C)CCO2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-12-5-4-7-16(8-6-12)14(17)13-11-15(2)9-10-18-13/h12-13H,3-11H2,1-2H3
InChIKeyIDPPPJSKYSJHDA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds2

About (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone

(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 127391716) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone
PubChem CID127391716
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCCC1CCCN(C(=O)C2CN(C)CCO2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-12-5-4-7-16(8-6-12)14(17)13-11-15(2)9-10-18-13/h12-13H,3-11H2,1-2H3
InChIKeyIDPPPJSKYSJHDA-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone (CID 127391716) is (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone is CCC1CCCN(C(=O)C2CN(C)CCO2)CC1.
What is the InChIKey of (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is IDPPPJSKYSJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-12-5-4-7-16(8-6-12)14(17)13-11-15(2)9-10-18-13/h12-13H,3-11H2,1-2H3.
What are the key properties of (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone?
(4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 127391716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).