N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine

C20H25NSi — CID 11472317

IUPACN,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NSi/c1-22(2,3)16-10-15-21(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-9,11-14H,15,17-18H2,1-3H3
InChIKeyMHPRRASXGZKXKE-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.57
Rot. Bonds5

About N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine

N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine (PubChem CID 11472317) has the molecular formula C20H25NSi and a molecular weight of 307.51 g/mol. Its IUPAC name is N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine
PubChem CID11472317
Molecular FormulaC20H25NSi
Molecular Weight307.51 g/mol
Exact Mass307.18
IUPAC NameN,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NSi/c1-22(2,3)16-10-15-21(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-9,11-14H,15,17-18H2,1-3H3
InChIKeyMHPRRASXGZKXKE-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.57
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'}

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Related Compounds

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CID 2341
Benzphetamine Hydrochloride
CID 11558159
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583
Tribenzylamine
CID 24321
Myristalkonium ion
CID 8756
Benzalkonium
CID 2330
Cetalkonium
CID 31203
Benzyltrimethylammonium
CID 5964

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine?
The IUPAC name of N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine (CID 11472317) is N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine?
The canonical SMILES for N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine is C[Si](C)(C)C#CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine?
The InChIKey is MHPRRASXGZKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NSi/c1-22(2,3)16-10-15-21(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-9,11-14H,15,17-18H2,1-3H3.
What are the key properties of N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine?
N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine has a molecular weight of 307.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine is sourced from PubChem (CID 11472317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).