1-(diethylamino)-5-methylhex-5-en-3-one

C11H21NO — CID 79180161

IUPAC1-(diethylamino)-5-methylhex-5-en-3-one
SMILESC=C(C)CC(=O)CCN(CC)CC
InChIInChI=1S/C11H21NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyPYAHVNOUALNXPI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.25
Rot. Bonds7

About 1-(diethylamino)-5-methylhex-5-en-3-one

1-(diethylamino)-5-methylhex-5-en-3-one (PubChem CID 79180161) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(diethylamino)-5-methylhex-5-en-3-one.

Molecular Properties

Compound Name1-(diethylamino)-5-methylhex-5-en-3-one
PubChem CID79180161
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(diethylamino)-5-methylhex-5-en-3-one
SMILESC=C(C)CC(=O)CCN(CC)CC
InChIInChI=1S/C11H21NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyPYAHVNOUALNXPI-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
1-(diethylamino)heptan-3-one
CID 21485652
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
3-(diethylamino)propanoyl fluoride
CID 139607789
ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
2-(acetamidomethylidene)-4-(diethylamino)butanoic acid
CID 123726003
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
1-cyclobutyl-4-(diethylamino)butan-2-one
CID 79078090

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-5-methylhex-5-en-3-one?
The IUPAC name of 1-(diethylamino)-5-methylhex-5-en-3-one (CID 79180161) is 1-(diethylamino)-5-methylhex-5-en-3-one.
What is the SMILES notation for 1-(diethylamino)-5-methylhex-5-en-3-one?
The canonical SMILES for 1-(diethylamino)-5-methylhex-5-en-3-one is C=C(C)CC(=O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)-5-methylhex-5-en-3-one?
The InChIKey is PYAHVNOUALNXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h3,5-9H2,1-2,4H3.
What are the key properties of 1-(diethylamino)-5-methylhex-5-en-3-one?
1-(diethylamino)-5-methylhex-5-en-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-5-methylhex-5-en-3-one is sourced from PubChem (CID 79180161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).