N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline

C16H25NSi — CID 86258799

IUPACN-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline
SMILESCC(C)(C)C(C#C[Si](C)(C)C)Nc1ccccc1
InChIInChI=1S/C16H25NSi/c1-16(2,3)15(12-13-18(4,5)6)17-14-10-8-7-9-11-14/h7-11,15,17H,1-6H3
InChIKeyCAHUCZZDJZBXRX-UHFFFAOYSA-N
MW259.47 g/mol
LogP4.39
Rot. Bonds2

About N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline

N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline (PubChem CID 86258799) has the molecular formula C16H25NSi and a molecular weight of 259.47 g/mol. Its IUPAC name is N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline.

Molecular Properties

Compound NameN-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline
PubChem CID86258799
Molecular FormulaC16H25NSi
Molecular Weight259.47 g/mol
Exact Mass259.18
IUPAC NameN-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline
SMILESCC(C)(C)C(C#C[Si](C)(C)C)Nc1ccccc1
InChIInChI=1S/C16H25NSi/c1-16(2,3)15(12-13-18(4,5)6)17-14-10-8-7-9-11-14/h7-11,15,17H,1-6H3
InChIKeyCAHUCZZDJZBXRX-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
CID 66545590
N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
2-(4-bromoanilino)-3,3-dimethylbutanenitrile
CID 61326619
4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
CID 10061224
4-methyl-N-(2-phenylethyl)-1-trimethylsilylpent-1-yn-3-amine
CID 135004241
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
2-methyl-3-N-phenylbutane-2,3-diamine
CID 68860304
N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
CID 101180194
2-anilino-3,3-dimethylbutanamide
CID 61324562
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline?
The IUPAC name of N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline (CID 86258799) is N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline.
What is the SMILES notation for N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline?
The canonical SMILES for N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline is CC(C)(C)C(C#C[Si](C)(C)C)Nc1ccccc1.
What is the InChIKey of N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline?
The InChIKey is CAHUCZZDJZBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NSi/c1-16(2,3)15(12-13-18(4,5)6)17-14-10-8-7-9-11-14/h7-11,15,17H,1-6H3.
What are the key properties of N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline?
N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline has a molecular weight of 259.47 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-1-trimethylsilylpent-1-yn-3-yl)aniline is sourced from PubChem (CID 86258799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).