(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine

C23H31NSi — CID 102502700

IUPAC(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3/t23-/m0/s1
InChIKeyFGBIFJKRUIKLSP-QHCPKHFHSA-N
MW349.59 g/mol
LogP5.59
Rot. Bonds6

About (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine

(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine (PubChem CID 102502700) has the molecular formula C23H31NSi and a molecular weight of 349.59 g/mol. Its IUPAC name is (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
PubChem CID102502700
Molecular FormulaC23H31NSi
Molecular Weight349.59 g/mol
Exact Mass349.22
IUPAC Name(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3/t23-/m0/s1
InChIKeyFGBIFJKRUIKLSP-QHCPKHFHSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine with MolForge

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Related Compounds

(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
CID 11337892
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
CID 11473957
(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
CID 102384335
4-methyl-N-(2-phenylethyl)-1-trimethylsilylpent-1-yn-3-amine
CID 135004241
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(2R,4R,5S)-5-(dibenzylamino)-6-methylheptane-2,4-diol
CID 101401413
N-benzyl-5-trimethylsilyl-N-(5-trimethylsilylpenta-2,4-diynyl)penta-2,4-diyn-1-amine
CID 59398634

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The IUPAC name of (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine (CID 102502700) is (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine.
What is the SMILES notation for (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The canonical SMILES for (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine is CC(C)[C@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
The InChIKey is FGBIFJKRUIKLSP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31NSi/c1-20(2)23(16-17-25(3,4)5)24(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,18-19H2,1-5H3/t23-/m0/s1.
What are the key properties of (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine?
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine has a molecular weight of 349.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine is sourced from PubChem (CID 102502700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).