2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate

C15H28N4O6 — CID 123413262

IUPAC2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
SMILESC#CCCCC(=O)NCCOCCOCCOCCOC(=O)NNN
InChIInChI=1S/C15H28N4O6/c1-2-3-4-5-14(20)17-6-7-22-8-9-23-10-11-24-12-13-25-15(21)18-19-16/h1,19H,3-13,16H2,(H,17,20)(H,18,21)
InChIKeyASFLNQOSIMOOBL-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.94
Rot. Bonds16

About 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate

2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate (PubChem CID 123413262) has the molecular formula C15H28N4O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate.

Molecular Properties

Compound Name2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
PubChem CID123413262
Molecular FormulaC15H28N4O6
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC Name2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
SMILESC#CCCCC(=O)NCCOCCOCCOCCOC(=O)NNN
InChIInChI=1S/C15H28N4O6/c1-2-3-4-5-14(20)17-6-7-22-8-9-23-10-11-24-12-13-25-15(21)18-19-16/h1,19H,3-13,16H2,(H,17,20)(H,18,21)
InChIKeyASFLNQOSIMOOBL-UHFFFAOYSA-N
XLogP-0.94
TPSA133.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[[2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]ethyl]carbamate
CID 177307402
2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
CID 123609060
N-but-3-ynylhex-5-ynamide
CID 10630847
methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
CID 177307404
N-(2-chloroethyl)hex-5-ynamide
CID 102137890
N'-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-N-[3-oxo-3-(prop-2-ynylamino)propyl]butanediamide
CID 168787195
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
2-bromo-N-(2-but-3-ynoxyethyl)acetamide
CID 170898987
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?
The IUPAC name of 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate (CID 123413262) is 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate.
What is the SMILES notation for 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?
The canonical SMILES for 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate is C#CCCCC(=O)NCCOCCOCCOCCOC(=O)NNN.
What is the InChIKey of 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?
The InChIKey is ASFLNQOSIMOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O6/c1-2-3-4-5-14(20)17-6-7-22-8-9-23-10-11-24-12-13-25-15(21)18-19-16/h1,19H,3-13,16H2,(H,17,20)(H,18,21).
What are the key properties of 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?
2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate has a molecular weight of 360.41 g/mol, XLogP of -0.94, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(hex-5-ynoylamino)ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate is sourced from PubChem (CID 123413262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).