N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine

C16H25NSi — CID 114161247

IUPACN-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H25NSi/c1-6-8-15(7-2)17-13-14-9-11-16(12-10-14)18(3,4)5/h2,9-12,15,17H,6,8,13H2,1,3-5H3
InChIKeyJIPUUINKNHQCAL-UHFFFAOYSA-N
MW259.47 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine

N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine (PubChem CID 114161247) has the molecular formula C16H25NSi and a molecular weight of 259.47 g/mol. Its IUPAC name is N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine
PubChem CID114161247
Molecular FormulaC16H25NSi
Molecular Weight259.47 g/mol
Exact Mass259.18
IUPAC NameN-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H25NSi/c1-6-8-15(7-2)17-13-14-9-11-16(12-10-14)18(3,4)5/h2,9-12,15,17H,6,8,13H2,1,3-5H3
InChIKeyJIPUUINKNHQCAL-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.12
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-[[4-(methoxymethyl)phenyl]methyl]hex-1-yn-3-amine
CID 107234261
N-(furan-3-ylmethyl)hex-1-yn-3-amine
CID 106226947
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
1-methoxy-N-[(4-trimethylsilylphenyl)methyl]pentan-2-amine
CID 103437841
N-[(3-chloro-4-fluorophenyl)methyl]hex-1-yn-3-amine
CID 107234241
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285
2-ethoxy-4-[(hex-1-yn-3-ylamino)methyl]phenol
CID 106227055
4-[(hex-1-yn-3-ylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 106231910
N-[[3-(difluoromethyl)phenyl]methyl]hex-1-yn-3-amine
CID 114160795
N-[(4-chlorothiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106227166
N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761
2-[3-[(hex-1-yn-3-ylamino)methyl]phenoxy]acetonitrile
CID 114160914

Frequently Asked Questions

What is the IUPAC name of N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine?
The IUPAC name of N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine (CID 114161247) is N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine?
The canonical SMILES for N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine is C#CC(CCC)NCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine?
The InChIKey is JIPUUINKNHQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NSi/c1-6-8-15(7-2)17-13-14-9-11-16(12-10-14)18(3,4)5/h2,9-12,15,17H,6,8,13H2,1,3-5H3.
What are the key properties of N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine?
N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine has a molecular weight of 259.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine is sourced from PubChem (CID 114161247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).