2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate

C15H34N2O3Si — CID 23547164

IUPAC2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate
SMILESCCCC(NC(O)C(N)CCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C15H34N2O3Si/c1-6-8-12(16)14(18)17-13(9-7-2)15(19)20-10-11-21(3,4)5/h12-14,17-18H,6-11,16H2,1-5H3
InChIKeyPQYQRXAIQNIPBN-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.07
Rot. Bonds11

About 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate

2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate (PubChem CID 23547164) has the molecular formula C15H34N2O3Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate
PubChem CID23547164
Molecular FormulaC15H34N2O3Si
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate
SMILESCCCC(NC(O)C(N)CCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C15H34N2O3Si/c1-6-8-12(16)14(18)17-13(9-7-2)15(19)20-10-11-21(3,4)5/h12-14,17-18H,6-11,16H2,1-5H3
InChIKeyPQYQRXAIQNIPBN-UHFFFAOYSA-N
XLogP2.07
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate?
The IUPAC name of 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate (CID 23547164) is 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate is CCCC(NC(O)C(N)CCC)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate?
The InChIKey is PQYQRXAIQNIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O3Si/c1-6-8-12(16)14(18)17-13(9-7-2)15(19)20-10-11-21(3,4)5/h12-14,17-18H,6-11,16H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate?
2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate has a molecular weight of 318.53 g/mol, XLogP of 2.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate is sourced from PubChem (CID 23547164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).