(3R)-3-amino-5-(diethylamino)pentan-2-one

C9H20N2O — CID 88995223

IUPAC(3R)-3-amino-5-(diethylamino)pentan-2-one
SMILESCCN(CC)CC[C@@H](N)C(C)=O
InChIInChI=1S/C9H20N2O/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7,10H2,1-3H3/t9-/m1/s1
InChIKeyPZYCFSOKHUAJSC-SECBINFHSA-N
MW172.27 g/mol
LogP0.63
Rot. Bonds6

About (3R)-3-amino-5-(diethylamino)pentan-2-one

(3R)-3-amino-5-(diethylamino)pentan-2-one (PubChem CID 88995223) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-3-amino-5-(diethylamino)pentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-5-(diethylamino)pentan-2-one
PubChem CID88995223
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R)-3-amino-5-(diethylamino)pentan-2-one
SMILESCCN(CC)CC[C@@H](N)C(C)=O
InChIInChI=1S/C9H20N2O/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7,10H2,1-3H3/t9-/m1/s1
InChIKeyPZYCFSOKHUAJSC-SECBINFHSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(diethylamino)pentan-2-one?
The IUPAC name of (3R)-3-amino-5-(diethylamino)pentan-2-one (CID 88995223) is (3R)-3-amino-5-(diethylamino)pentan-2-one.
What is the SMILES notation for (3R)-3-amino-5-(diethylamino)pentan-2-one?
The canonical SMILES for (3R)-3-amino-5-(diethylamino)pentan-2-one is CCN(CC)CC[C@@H](N)C(C)=O.
What is the InChIKey of (3R)-3-amino-5-(diethylamino)pentan-2-one?
The InChIKey is PZYCFSOKHUAJSC-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11(5-2)7-6-9(10)8(3)12/h9H,4-7,10H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-5-(diethylamino)pentan-2-one?
(3R)-3-amino-5-(diethylamino)pentan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-(diethylamino)pentan-2-one is sourced from PubChem (CID 88995223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).