(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine

C21H33NOSi — CID 14359847

IUPAC(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine
SMILESC#CCN(C/C=C/C(C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C21H33NOSi/c1-8-16-22(18-20-14-10-9-11-15-20)17-12-13-19(2)23-24(6,7)21(3,4)5/h1,9-15,19H,16-18H2,2-7H3/b13-12+
InChIKeyNMZNGNPRIXTNKN-OUKQBFOZSA-N
MW343.59 g/mol
LogP5.09
Rot. Bonds8

About (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine

(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine (PubChem CID 14359847) has the molecular formula C21H33NOSi and a molecular weight of 343.59 g/mol. Its IUPAC name is (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine
PubChem CID14359847
Molecular FormulaC21H33NOSi
Molecular Weight343.59 g/mol
Exact Mass343.23
IUPAC Name(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine
SMILESC#CCN(C/C=C/C(C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C21H33NOSi/c1-8-16-22(18-20-14-10-9-11-15-20)17-12-13-19(2)23-24(6,7)21(3,4)5/h1,9-15,19H,16-18H2,2-7H3/b13-12+
InChIKeyNMZNGNPRIXTNKN-OUKQBFOZSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine 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

[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010175
(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol
CID 134930871
Benzenemethanamine, N,N-bis[3-(trimethylsilyl)-2-propynyl]-
CID 10925472
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-trimethylsilane
CID 19810871
N-benzyl-N-methyl-3-(trimethylsilyl)prop-2-yn-1-amine
CID 102437239
Benzyldimethyl(3-(triethoxysilyl)propyl)ammonium chloride
CID 3020617
[(3S,5S)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 176166454
(3S,4S)-1-Benzyl-3,4-bis((tert-butyldimethylsilyl)oxy)pyrrolidine
CID 15101628
(1-Benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane
CID 90151330
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane
CID 164584456
N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine
CID 11165257
2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
CID 11425909

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine (CID 14359847) is (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine is C#CCN(C/C=C/C(C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine?
The InChIKey is NMZNGNPRIXTNKN-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H33NOSi/c1-8-16-22(18-20-14-10-9-11-15-20)17-12-13-19(2)23-24(6,7)21(3,4)5/h1,9-15,19H,16-18H2,2-7H3/b13-12+.
What are the key properties of (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine?
(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine has a molecular weight of 343.59 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine is sourced from PubChem (CID 14359847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).