(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one

C24H31NOSi — CID 102384335

IUPAC(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
SMILESCC(C)[C@@H](C(=O)C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-20(2)24(23(26)16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,24H,18-19H2,1-5H3/t24-/m0/s1
InChIKeyRNEBNJXRHLBPBK-DEOSSOPVSA-N
MW377.60 g/mol
LogP5.16
Rot. Bonds7

About (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one

(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one (PubChem CID 102384335) has the molecular formula C24H31NOSi and a molecular weight of 377.60 g/mol. Its IUPAC name is (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one.

Molecular Properties

Compound Name(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
PubChem CID102384335
Molecular FormulaC24H31NOSi
Molecular Weight377.60 g/mol
Exact Mass377.22
IUPAC Name(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
SMILESCC(C)[C@@H](C(=O)C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-20(2)24(23(26)16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,24H,18-19H2,1-5H3/t24-/m0/s1
InChIKeyRNEBNJXRHLBPBK-DEOSSOPVSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-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

(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
benzyl (2S)-2-(dibenzylamino)-3-methylbutanoate
CID 11280665
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
(3R)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-methylpentan-2-one
CID 118184134
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
2-[benzyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 20993417
methyl 2-[benzyl-(4-oxo-6-trimethylsilylhex-5-ynoyl)amino]propanoate
CID 10499615

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one?
The IUPAC name of (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one (CID 102384335) is (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one.
What is the SMILES notation for (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one?
The canonical SMILES for (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one is CC(C)[C@@H](C(=O)C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one?
The InChIKey is RNEBNJXRHLBPBK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31NOSi/c1-20(2)24(23(26)16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,24H,18-19H2,1-5H3/t24-/m0/s1.
What are the key properties of (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one?
(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one has a molecular weight of 377.60 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one is sourced from PubChem (CID 102384335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).