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

C27H58N4O7 — CID 88854242

IUPACtert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C27H58N4O7/c1-27(2,3)38-26(32)30-12-16-33-18-20-35-22-24-37-25-23-36-21-19-34-17-15-31(13-8-4-6-10-28)14-9-5-7-11-29/h4-25,28-29H2,1-3H3,(H,30,32)
InChIKeyGRKUSOAUOTZWCH-UHFFFAOYSA-N
MW550.78 g/mol
LogP2.15
Rot. Bonds28

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

tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 88854242) has the molecular formula C27H58N4O7 and a molecular weight of 550.78 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID88854242
Molecular FormulaC27H58N4O7
Molecular Weight550.78 g/mol
Exact Mass550.43
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN
InChIInChI=1S/C27H58N4O7/c1-27(2,3)38-26(32)30-12-16-33-18-20-35-22-24-37-25-23-36-21-19-34-17-15-31(13-8-4-6-10-28)14-9-5-7-11-29/h4-25,28-29H2,1-3H3,(H,30,32)
InChIKeyGRKUSOAUOTZWCH-UHFFFAOYSA-N
XLogP2.15
TPSA139.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.78
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 3090880
CID 3090880
CID 71496
CID 71496
CID 11688612
CID 11688612
CID 5079724
CID 5079724
CID 165983206
CID 165983206
CID 5214899
CID 5214899
CID 60146195
CID 60146195
CID 3319296
CID 3319296
CID 135121805
CID 135121805
CID 145453343
CID 145453343
CID 178754098
CID 178754098
CID 4150216
CID 4150216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 88854242) is tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN(CCCCCN)CCCCCN.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is GRKUSOAUOTZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58N4O7/c1-27(2,3)38-26(32)30-12-16-33-18-20-35-22-24-37-25-23-36-21-19-34-17-15-31(13-8-4-6-10-28)14-9-5-7-11-29/h4-25,28-29H2,1-3H3,(H,30,32).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 550.78 g/mol, XLogP of 2.15, 28 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 88854242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).