4-(ethylamino)hexan-3-one

C8H16NO- — CID 91533412

IUPAC4-(ethylamino)hexan-3-one
SMILES[CH2-]CC(NCC)C(=O)CC
InChIInChI=1S/C8H16NO/c1-4-7(9-6-3)8(10)5-2/h7,9H,1,4-6H2,2-3H3/q-1
InChIKeyUGFNSWWLBXZSLH-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.17
Rot. Bonds5

About 4-(ethylamino)hexan-3-one

4-(ethylamino)hexan-3-one (PubChem CID 91533412) has the molecular formula C8H16NO- and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-(ethylamino)hexan-3-one.

Molecular Properties

Compound Name4-(ethylamino)hexan-3-one
PubChem CID91533412
Molecular FormulaC8H16NO-
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-(ethylamino)hexan-3-one
SMILES[CH2-]CC(NCC)C(=O)CC
InChIInChI=1S/C8H16NO/c1-4-7(9-6-3)8(10)5-2/h7,9H,1,4-6H2,2-3H3/q-1
InChIKeyUGFNSWWLBXZSLH-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
8-amino-4-(ethylamino)octan-3-one
CID 20755672
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
CID 71037152
2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
CID 71154702
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
CID 71154495
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
CID 177156065
2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
(4R)-4-(tert-butylamino)-6-methylheptan-3-one
CID 88965299

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)hexan-3-one?
The IUPAC name of 4-(ethylamino)hexan-3-one (CID 91533412) is 4-(ethylamino)hexan-3-one.
What is the SMILES notation for 4-(ethylamino)hexan-3-one?
The canonical SMILES for 4-(ethylamino)hexan-3-one is [CH2-]CC(NCC)C(=O)CC.
What is the InChIKey of 4-(ethylamino)hexan-3-one?
The InChIKey is UGFNSWWLBXZSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-4-7(9-6-3)8(10)5-2/h7,9H,1,4-6H2,2-3H3/q-1.
What are the key properties of 4-(ethylamino)hexan-3-one?
4-(ethylamino)hexan-3-one has a molecular weight of 142.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)hexan-3-one is sourced from PubChem (CID 91533412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).