(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one

C11H24N2O — CID 126706773

IUPAC(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one
SMILESCCNCCC(=O)[C@H](C)NCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-7-6-11(14)10(4)13-8-9(2)3/h9-10,12-13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyAETPTBQCSZBYMY-JTQLQIEISA-N
MW200.33 g/mol
LogP1.19
Rot. Bonds8

About (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one

(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one (PubChem CID 126706773) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one.

Molecular Properties

Compound Name(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one
PubChem CID126706773
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one
SMILESCCNCCC(=O)[C@H](C)NCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-7-6-11(14)10(4)13-8-9(2)3/h9-10,12-13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyAETPTBQCSZBYMY-JTQLQIEISA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one?
The IUPAC name of (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one (CID 126706773) is (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one.
What is the SMILES notation for (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one?
The canonical SMILES for (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one is CCNCCC(=O)[C@H](C)NCC(C)C.
What is the InChIKey of (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one?
The InChIKey is AETPTBQCSZBYMY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-12-7-6-11(14)10(4)13-8-9(2)3/h9-10,12-13H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one?
(4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one has a molecular weight of 200.33 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(ethylamino)-4-(2-methylpropylamino)pentan-3-one is sourced from PubChem (CID 126706773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).