2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane

C38H74N10O8 — CID 160518022

IUPAC2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane
SMILESC.C.C#CCN1CCC2(CC1)COC2.NCCOCCOCCOCCn1cc(CN2CCC3(CC2)COC3)nn1.[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C18H33N5O4.C10H15NO.C8H18N4O3.2CH4/c19-3-7-24-9-11-26-12-10-25-8-6-23-14-17(20-21-23)13-22-4-1-18(2-5-22)15-27-16-18;1-2-5-11-6-3-10(4-7-11)8-12-9-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;;/h14H,1-13,15-16,19H2;1H,3-9H2;1-9H2;2*1H4
InChIKeyQTXIPIYSUBTRDU-UHFFFAOYSA-N
MW799.07 g/mol
LogP2.21
Rot. Bonds25

About 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 160518022) has the molecular formula C38H74N10O8 and a molecular weight of 799.07 g/mol. Its IUPAC name is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID160518022
Molecular FormulaC38H74N10O8
Molecular Weight799.07 g/mol
Exact Mass798.57
IUPAC Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane
SMILESC.C.C#CCN1CCC2(CC1)COC2.NCCOCCOCCOCCn1cc(CN2CCC3(CC2)COC3)nn1.[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C18H33N5O4.C10H15NO.C8H18N4O3.2CH4/c19-3-7-24-9-11-26-12-10-25-8-6-23-14-17(20-21-23)13-22-4-1-18(2-5-22)15-27-16-18;1-2-5-11-6-3-10(4-7-11)8-12-9-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;;/h14H,1-13,15-16,19H2;1H,3-9H2;1-9H2;2*1H4
InChIKeyQTXIPIYSUBTRDU-UHFFFAOYSA-N
XLogP2.21
TPSA211.83 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.07
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
CID 162049312
2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethanamine;2-[2-[2-[bis[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethanamine
CID 167608217
1-[[1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 145076720
3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 101491540
2-[2-[2-[2-[2-[5-deuterio-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 167345236
ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176965815
methyl 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxylate
CID 146336563
4-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 158632737
2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethanamine;6-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]-2-methylhex-1-en-3-one;methane;2-methylprop-2-enoyl chloride
CID 162018725
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-azido-2-fluoroethane;4-[(4-bromophenyl)methoxymethyl]-1-(2-fluoroethyl)triazole;1-bromo-4-(prop-2-ynoxymethyl)benzene
CID 167533396
1-[2-(2-azidoethoxy)ethyl]-4-[4-[3,5,7-tris[4-[1-[2-(2-azidoethoxy)ethyl]triazol-4-yl]phenyl]-1-adamantyl]phenyl]triazole;1,3,5-tris[2-[4-[2-(2-azidoethoxy)ethoxymethyl]phenyl]ethynyl]benzene
CID 158350268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane (CID 160518022) is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane is C.C.C#CCN1CCC2(CC1)COC2.NCCOCCOCCOCCn1cc(CN2CCC3(CC2)COC3)nn1.[N-]=[N+]=NCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is QTXIPIYSUBTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O4.C10H15NO.C8H18N4O3.2CH4/c19-3-7-24-9-11-26-12-10-25-8-6-23-14-17(20-21-23)13-22-4-1-18(2-5-22)15-27-16-18;1-2-5-11-6-3-10(4-7-11)8-12-9-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10;;/h14H,1-13,15-16,19H2;1H,3-9H2;1-9H2;2*1H4.
What are the key properties of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane?
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 799.07 g/mol, XLogP of 2.21, 25 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;methane;2-[2-[2-[2-[4-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine;7-prop-2-ynyl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 160518022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).