ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane

C56H136N6O — CID 157147279

IUPACethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.C6H13N.C5H11N.7C2H6.3CH4/c1-2-9-7-5-3-4-6-8-9;2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6;7*1-2;;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1-2H3;3*1H4
InChIKeyAKVSYNMDGCXFLJ-UHFFFAOYSA-N
MW909.74 g/mol
LogP15.89
Rot. Bonds6

About ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane

ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane (PubChem CID 157147279) has the molecular formula C56H136N6O and a molecular weight of 909.74 g/mol. Its IUPAC name is ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane.

Molecular Properties

Compound Nameethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane
PubChem CID157147279
Molecular FormulaC56H136N6O
Molecular Weight909.74 g/mol
Exact Mass909.08
IUPAC Nameethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.C6H13N.C5H11N.7C2H6.3CH4/c1-2-9-7-5-3-4-6-8-9;2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6;7*1-2;;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1-2H3;3*1H4
InChIKeyAKVSYNMDGCXFLJ-UHFFFAOYSA-N
XLogP15.89
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.74
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane?
The IUPAC name of ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane (CID 157147279) is ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane.
What is the SMILES notation for ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane?
The canonical SMILES for ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1.
What is the InChIKey of ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane?
The InChIKey is AKVSYNMDGCXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.C6H13N.C5H11N.7C2H6.3CH4/c1-2-9-7-5-3-4-6-8-9;2*1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6;7*1-2;;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1-2H3;3*1H4.
What are the key properties of ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane?
ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane has a molecular weight of 909.74 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane is sourced from PubChem (CID 157147279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).