tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine

C44H88N8O8 — CID 160957196

IUPACtetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
SMILESCN.CN.CN.CN.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/4C10H17NO2.4CH5N/c4*1-11-10(12)13-9-7-5-3-2-4-6-8-9;4*1-2/h4*2-3,9H,4-8H2,1H3,(H,11,12);4*2H2,1H3/b4*3-2-;;;;
InChIKeySWNUPTROAPVTQU-JLDLMPRWSA-N
MW857.24 g/mol
LogP7.22
Rot. Bonds4

About tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine

tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine (PubChem CID 160957196) has the molecular formula C44H88N8O8 and a molecular weight of 857.24 g/mol. Its IUPAC name is tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine.

Molecular Properties

Compound Nametetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
PubChem CID160957196
Molecular FormulaC44H88N8O8
Molecular Weight857.24 g/mol
Exact Mass856.67
IUPAC Nametetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
SMILESCN.CN.CN.CN.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/4C10H17NO2.4CH5N/c4*1-11-10(12)13-9-7-5-3-2-4-6-8-9;4*1-2/h4*2-3,9H,4-8H2,1H3,(H,11,12);4*2H2,1H3/b4*3-2-;;;;
InChIKeySWNUPTROAPVTQU-JLDLMPRWSA-N
XLogP7.22
TPSA257.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500857.24
LogP ≤ 57.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl N-methylcarbamate
CID 23548767
[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
CID 153422557
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
CID 118053668
[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
CID 90049693
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 171318907
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167312923
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 137334019
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171318905
[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 146026023
[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate
CID 171825168
3-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]propanoic acid
CID 169491139

Frequently Asked Questions

What is the IUPAC name of tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine?
The IUPAC name of tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine (CID 160957196) is tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine.
What is the SMILES notation for tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine?
The canonical SMILES for tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine is CN.CN.CN.CN.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.CNC(=O)OC1CC/C=C\CCC1.
What is the InChIKey of tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine?
The InChIKey is SWNUPTROAPVTQU-JLDLMPRWSA-N. The full InChI is InChI=1S/4C10H17NO2.4CH5N/c4*1-11-10(12)13-9-7-5-3-2-4-6-8-9;4*1-2/h4*2-3,9H,4-8H2,1H3,(H,11,12);4*2H2,1H3/b4*3-2-;;;;.
What are the key properties of tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine?
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine has a molecular weight of 857.24 g/mol, XLogP of 7.22, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine is sourced from PubChem (CID 160957196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).