tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C25H54N4O6 — CID 88854204

IUPACtert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C25H54N4O6/c1-25(2,3)35-24(30)28-12-16-31-18-20-33-22-23-34-21-19-32-17-15-29(13-8-4-6-10-26)14-9-5-7-11-27/h4-23,26-27H2,1-3H3,(H,28,30)
InChIKeyBZJOOJUAKVOEDN-UHFFFAOYSA-N
MW506.73 g/mol
LogP2.14
Rot. Bonds25

About tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 88854204) has the molecular formula C25H54N4O6 and a molecular weight of 506.73 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID88854204
Molecular FormulaC25H54N4O6
Molecular Weight506.73 g/mol
Exact Mass506.40
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C25H54N4O6/c1-25(2,3)35-24(30)28-12-16-31-18-20-33-22-23-34-21-19-32-17-15-29(13-8-4-6-10-26)14-9-5-7-11-27/h4-23,26-27H2,1-3H3,(H,28,30)
InChIKeyBZJOOJUAKVOEDN-UHFFFAOYSA-N
XLogP2.14
TPSA130.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.73
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 88854204) is tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN(CCCCCN)CCCCCN.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is BZJOOJUAKVOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N4O6/c1-25(2,3)35-24(30)28-12-16-31-18-20-33-22-23-34-21-19-32-17-15-29(13-8-4-6-10-26)14-9-5-7-11-27/h4-23,26-27H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 506.73 g/mol, XLogP of 2.14, 25 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 88854204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).