(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one

C15H21NO — CID 176921550

IUPAC(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESC/C(=C/C(=O)C(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)15(17)10-13(3)16(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3/b13-10-
InChIKeyRHPQAOQTVYLYGR-RAXLEYEMSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds5

About (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one

(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one (PubChem CID 176921550) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one
PubChem CID176921550
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESC/C(=C/C(=O)C(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)15(17)10-13(3)16(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3/b13-10-
InChIKeyRHPQAOQTVYLYGR-RAXLEYEMSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
CID 130520934
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-3-cyano-N,2-dimethylpropanamide
CID 82113791
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one?
The IUPAC name of (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one (CID 176921550) is (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one?
The canonical SMILES for (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one is C/C(=C/C(=O)C(C)C)N(C)Cc1ccccc1.
What is the InChIKey of (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one?
The InChIKey is RHPQAOQTVYLYGR-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)15(17)10-13(3)16(4)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3/b13-10-.
What are the key properties of (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one?
(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one has a molecular weight of 231.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one is sourced from PubChem (CID 176921550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).