7-(3-morpholin-4-ylpropylamino)heptan-2-one

C14H28N2O2 — CID 14484883

IUPAC7-(3-morpholin-4-ylpropylamino)heptan-2-one
SMILESCC(=O)CCCCCNCCCN1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-14(17)6-3-2-4-7-15-8-5-9-16-10-12-18-13-11-16/h15H,2-13H2,1H3
InChIKeyXJWQLOAYKJUVIF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.45
Rot. Bonds10

About 7-(3-morpholin-4-ylpropylamino)heptan-2-one

7-(3-morpholin-4-ylpropylamino)heptan-2-one (PubChem CID 14484883) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylpropylamino)heptan-2-one.

Molecular Properties

Compound Name7-(3-morpholin-4-ylpropylamino)heptan-2-one
PubChem CID14484883
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name7-(3-morpholin-4-ylpropylamino)heptan-2-one
SMILESCC(=O)CCCCCNCCCN1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-14(17)6-3-2-4-7-15-8-5-9-16-10-12-18-13-11-16/h15H,2-13H2,1H3
InChIKeyXJWQLOAYKJUVIF-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-morpholin-4-ylpropylamino)heptan-2-one?
The IUPAC name of 7-(3-morpholin-4-ylpropylamino)heptan-2-one (CID 14484883) is 7-(3-morpholin-4-ylpropylamino)heptan-2-one.
What is the SMILES notation for 7-(3-morpholin-4-ylpropylamino)heptan-2-one?
The canonical SMILES for 7-(3-morpholin-4-ylpropylamino)heptan-2-one is CC(=O)CCCCCNCCCN1CCOCC1.
What is the InChIKey of 7-(3-morpholin-4-ylpropylamino)heptan-2-one?
The InChIKey is XJWQLOAYKJUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(17)6-3-2-4-7-15-8-5-9-16-10-12-18-13-11-16/h15H,2-13H2,1H3.
What are the key properties of 7-(3-morpholin-4-ylpropylamino)heptan-2-one?
7-(3-morpholin-4-ylpropylamino)heptan-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylpropylamino)heptan-2-one is sourced from PubChem (CID 14484883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).