1-(dimethylamino)-4-(ethylamino)butan-2-one

C8H18N2O — CID 83967333

IUPAC1-(dimethylamino)-4-(ethylamino)butan-2-one
SMILESCCNCCC(=O)CN(C)C
InChIInChI=1S/C8H18N2O/c1-4-9-6-5-8(11)7-10(2)3/h9H,4-7H2,1-3H3
InChIKeyPYKUENNZESZLAL-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.12
Rot. Bonds6

About 1-(dimethylamino)-4-(ethylamino)butan-2-one

1-(dimethylamino)-4-(ethylamino)butan-2-one (PubChem CID 83967333) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(dimethylamino)-4-(ethylamino)butan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-(ethylamino)butan-2-one
PubChem CID83967333
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(dimethylamino)-4-(ethylamino)butan-2-one
SMILESCCNCCC(=O)CN(C)C
InChIInChI=1S/C8H18N2O/c1-4-9-6-5-8(11)7-10(2)3/h9H,4-7H2,1-3H3
InChIKeyPYKUENNZESZLAL-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
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 1-(dimethylamino)-4-(ethylamino)butan-2-one?
The IUPAC name of 1-(dimethylamino)-4-(ethylamino)butan-2-one (CID 83967333) is 1-(dimethylamino)-4-(ethylamino)butan-2-one.
What is the SMILES notation for 1-(dimethylamino)-4-(ethylamino)butan-2-one?
The canonical SMILES for 1-(dimethylamino)-4-(ethylamino)butan-2-one is CCNCCC(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-4-(ethylamino)butan-2-one?
The InChIKey is PYKUENNZESZLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-9-6-5-8(11)7-10(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-4-(ethylamino)butan-2-one?
1-(dimethylamino)-4-(ethylamino)butan-2-one has a molecular weight of 158.24 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-(ethylamino)butan-2-one is sourced from PubChem (CID 83967333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).