(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one

C13H23NO — CID 140905940

IUPAC(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one
SMILESCN(C/C=C/C(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-6-10-14(4)11-7-5-8-11/h6,9,11H,5,7-8,10H2,1-4H3/b9-6+
InChIKeyWCWMUHUCHUAIID-RMKNXTFCSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds4

About (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one

(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one (PubChem CID 140905940) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one
PubChem CID140905940
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one
SMILESCN(C/C=C/C(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-6-10-14(4)11-7-5-8-11/h6,9,11H,5,7-8,10H2,1-4H3/b9-6+
InChIKeyWCWMUHUCHUAIID-RMKNXTFCSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-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

(E)-4-[cyclobutyl(methyl)amino]but-2-enoic acid
CID 71209049
4-[cyclobutyl(methyl)amino]but-2-enoyl chloride
CID 123830742
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62622965
(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828
(E)-5-[methyl-[(3S)-oxolan-3-yl]amino]pent-3-en-2-one
CID 126728860
4-[methyl-(2-methylcyclohexyl)amino]but-2-enoic acid
CID 76940823
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
methyl 4-[cyclohexyl(methyl)amino]-2-methylbut-2-enoate
CID 77076301
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
ethyl (E)-4-[methyl(thiolan-3-yl)amino]but-2-enoate
CID 80549345

Frequently Asked Questions

What is the IUPAC name of (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one?
The IUPAC name of (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one (CID 140905940) is (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one.
What is the SMILES notation for (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one?
The canonical SMILES for (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one is CN(C/C=C/C(=O)C(C)(C)C)C1CCC1.
What is the InChIKey of (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one?
The InChIKey is WCWMUHUCHUAIID-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)12(15)9-6-10-14(4)11-7-5-8-11/h6,9,11H,5,7-8,10H2,1-4H3/b9-6+.
What are the key properties of (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one?
(E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[cyclobutyl(methyl)amino]-2,2-dimethylhex-4-en-3-one is sourced from PubChem (CID 140905940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).