4-(dimethylamino)-5,5-dimethylhex-3-en-2-one

C10H19NO — CID 23268138

IUPAC4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
SMILESCC(=O)C=C(N(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(12)7-9(11(5)6)10(2,3)4/h7H,1-6H3
InChIKeyKHOSQPVINBDKSA-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds2

About 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one

4-(dimethylamino)-5,5-dimethylhex-3-en-2-one (PubChem CID 23268138) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
PubChem CID23268138
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
SMILESCC(=O)C=C(N(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(12)7-9(11(5)6)10(2,3)4/h7H,1-6H3
InChIKeyKHOSQPVINBDKSA-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-amino-5,5-dimethylhex-3-en-2-one
CID 15421497
(3Z)-N,N,2,2-tetramethylhexa-3,5-dien-3-amine
CID 129256004
sodium 1-(dimethylamino)-3-oxobut-1-en-1-olate
CID 23691582
5-methoxy-4,5-dimethylhex-3-en-2-one
CID 91074265
2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-N,N,2-trimethylpropanamide
CID 142784953
5-hydroxy-4,5-dimethylhex-3-en-2-one
CID 91550756
4-oxopent-2-en-2-yl N,N-dimethylcarbamate
CID 57243563
(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
CID 6371132
(E)-5-fluoro-4,5-dimethylhex-3-en-2-one
CID 12601610
(E)-N,N,3,4,4-pentamethylpent-2-en-2-amine
CID 166688460
2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
CID 88877368
(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one?
The IUPAC name of 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one (CID 23268138) is 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one.
What is the SMILES notation for 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one?
The canonical SMILES for 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one is CC(=O)C=C(N(C)C)C(C)(C)C.
What is the InChIKey of 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one?
The InChIKey is KHOSQPVINBDKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)7-9(11(5)6)10(2,3)4/h7H,1-6H3.
What are the key properties of 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one?
4-(dimethylamino)-5,5-dimethylhex-3-en-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5,5-dimethylhex-3-en-2-one is sourced from PubChem (CID 23268138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).