[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate

C16H31N3O3 — CID 171825168

IUPAC[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC1CC/C=C\CCC1)COCCNN
InChIInChI=1S/C16H31N3O3/c1-16(2,13-21-11-10-19-17)12-18-15(20)22-14-8-6-4-3-5-7-9-14/h3-4,14,19H,5-13,17H2,1-2H3,(H,18,20)/b4-3-
InChIKeyDDBTWMYFBRGASF-ARJAWSKDSA-N
MW313.44 g/mol
LogP2.11
Rot. Bonds8

About [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate

[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate (PubChem CID 171825168) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate
PubChem CID171825168
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC1CC/C=C\CCC1)COCCNN
InChIInChI=1S/C16H31N3O3/c1-16(2,13-21-11-10-19-17)12-18-15(20)22-14-8-6-4-3-5-7-9-14/h3-4,14,19H,5-13,17H2,1-2H3,(H,18,20)/b4-3-
InChIKeyDDBTWMYFBRGASF-ARJAWSKDSA-N
XLogP2.11
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate (CID 171825168) is [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate is CC(C)(CNC(=O)OC1CC/C=C\CCC1)COCCNN.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate?
The InChIKey is DDBTWMYFBRGASF-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,13-21-11-10-19-17)12-18-15(20)22-14-8-6-4-3-5-7-9-14/h3-4,14,19H,5-13,17H2,1-2H3,(H,18,20)/b4-3-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate?
[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate has a molecular weight of 313.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 171825168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).