2-amino-1-morpholin-4-ylpentan-3-one

C9H18N2O2 — CID 83684374

IUPAC2-amino-1-morpholin-4-ylpentan-3-one
SMILESCCC(=O)C(N)CN1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3
InChIKeyLWRKAMFIBFFKKB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.38
Rot. Bonds4

About 2-amino-1-morpholin-4-ylpentan-3-one

2-amino-1-morpholin-4-ylpentan-3-one (PubChem CID 83684374) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-morpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name2-amino-1-morpholin-4-ylpentan-3-one
PubChem CID83684374
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-morpholin-4-ylpentan-3-one
SMILESCCC(=O)C(N)CN1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3
InChIKeyLWRKAMFIBFFKKB-UHFFFAOYSA-N
XLogP-0.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-morpholin-4-ylpentan-3-one?
The IUPAC name of 2-amino-1-morpholin-4-ylpentan-3-one (CID 83684374) is 2-amino-1-morpholin-4-ylpentan-3-one.
What is the SMILES notation for 2-amino-1-morpholin-4-ylpentan-3-one?
The canonical SMILES for 2-amino-1-morpholin-4-ylpentan-3-one is CCC(=O)C(N)CN1CCOCC1.
What is the InChIKey of 2-amino-1-morpholin-4-ylpentan-3-one?
The InChIKey is LWRKAMFIBFFKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(12)8(10)7-11-3-5-13-6-4-11/h8H,2-7,10H2,1H3.
What are the key properties of 2-amino-1-morpholin-4-ylpentan-3-one?
2-amino-1-morpholin-4-ylpentan-3-one has a molecular weight of 186.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-morpholin-4-ylpentan-3-one is sourced from PubChem (CID 83684374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).