1-(ethylamino)-2,5-dimethylhex-5-en-3-one

C10H19NO — CID 116565362

IUPAC1-(ethylamino)-2,5-dimethylhex-5-en-3-one
SMILESC=C(C)CC(=O)C(C)CNCC
InChIInChI=1S/C10H19NO/c1-5-11-7-9(4)10(12)6-8(2)3/h9,11H,2,5-7H2,1,3-4H3
InChIKeyQCOPEHNGKVMDPT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.77
Rot. Bonds6

About 1-(ethylamino)-2,5-dimethylhex-5-en-3-one

1-(ethylamino)-2,5-dimethylhex-5-en-3-one (PubChem CID 116565362) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(ethylamino)-2,5-dimethylhex-5-en-3-one.

Molecular Properties

Compound Name1-(ethylamino)-2,5-dimethylhex-5-en-3-one
PubChem CID116565362
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(ethylamino)-2,5-dimethylhex-5-en-3-one
SMILESC=C(C)CC(=O)C(C)CNCC
InChIInChI=1S/C10H19NO/c1-5-11-7-9(4)10(12)6-8(2)3/h9,11H,2,5-7H2,1,3-4H3
InChIKeyQCOPEHNGKVMDPT-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyloct-1-en-4-one
CID 115780450
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
3-(ethylamino)-2-methylpropanamide
CID 43311981
5-(ethylamino)-4-methylpent-1-en-3-one
CID 116565247
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
2,5,6-trimethylhept-1-en-4-one
CID 115780430
3-(ethylamino)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 62853954
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
CID 116565200
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
2-ethoxy-5-methylhex-5-en-3-one
CID 79178457

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2,5-dimethylhex-5-en-3-one?
The IUPAC name of 1-(ethylamino)-2,5-dimethylhex-5-en-3-one (CID 116565362) is 1-(ethylamino)-2,5-dimethylhex-5-en-3-one.
What is the SMILES notation for 1-(ethylamino)-2,5-dimethylhex-5-en-3-one?
The canonical SMILES for 1-(ethylamino)-2,5-dimethylhex-5-en-3-one is C=C(C)CC(=O)C(C)CNCC.
What is the InChIKey of 1-(ethylamino)-2,5-dimethylhex-5-en-3-one?
The InChIKey is QCOPEHNGKVMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-11-7-9(4)10(12)6-8(2)3/h9,11H,2,5-7H2,1,3-4H3.
What are the key properties of 1-(ethylamino)-2,5-dimethylhex-5-en-3-one?
1-(ethylamino)-2,5-dimethylhex-5-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2,5-dimethylhex-5-en-3-one is sourced from PubChem (CID 116565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).