(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol

C19H33NOSi2 — CID 134930871

IUPAC(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@@H]([C@@H](O)C#C[Si](C)(C)C)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H33NOSi2/c1-17(19(21)13-14-22(2,3)4)20(16-23(5,6)7)15-18-11-9-8-10-12-18/h8-12,17,19,21H,15-16H2,1-7H3/t17-,19-/m0/s1
InChIKeyLOYUBLZFOIMEOW-HKUYNNGSSA-N
MW347.65 g/mol
LogP4.00
Rot. Bonds6

About (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol

(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 134930871) has the molecular formula C19H33NOSi2 and a molecular weight of 347.65 g/mol. Its IUPAC name is (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol
PubChem CID134930871
Molecular FormulaC19H33NOSi2
Molecular Weight347.65 g/mol
Exact Mass347.21
IUPAC Name(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@@H]([C@@H](O)C#C[Si](C)(C)C)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H33NOSi2/c1-17(19(21)13-14-22(2,3)4)20(16-23(5,6)7)15-18-11-9-8-10-12-18/h8-12,17,19,21H,15-16H2,1-7H3/t17-,19-/m0/s1
InChIKeyLOYUBLZFOIMEOW-HKUYNNGSSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
CID 103099
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1)
CID 103101
Benzenemethanaminium, N-hexadecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
CID 103275
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-tetradecyl-, chloride (1:1)
CID 3034700
(S)-(+)-2-(Dibenzylamino)-1-propanol
CID 11436768
(2R)-2-(Dibenzylamino)propan-1-ol
CID 13949605
(2S,4R)-1-benzyl-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 11099295
2-(Dibenzylamino)propan-1-ol
CID 563465
Benzyl-dodecyl-bis(2-hydroxypropyl)azanium
CID 103100
4-[Benzyl(propan-2-yl)amino]but-2-yn-1-ol
CID 2054627
Cambridge id 5230311
CID 2835459
5-[Benzyl(propan-2-yl)amino]pent-3-yn-2-ol
CID 2835460

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol (CID 134930871) is (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol is C[C@@H]([C@@H](O)C#C[Si](C)(C)C)N(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is LOYUBLZFOIMEOW-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H33NOSi2/c1-17(19(21)13-14-22(2,3)4)20(16-23(5,6)7)15-18-11-9-8-10-12-18/h8-12,17,19,21H,15-16H2,1-7H3/t17-,19-/m0/s1.
What are the key properties of (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol?
(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 347.65 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 134930871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).