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

C38H90N4O — CID 158653894

IUPACethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane
SMILESC.C.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.4C2H6.2CH4/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;4*1-2;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;4*1-2H3;2*1H4
InChIKeyIBWSGSBTCQJMIF-UHFFFAOYSA-N
MW619.17 g/mol
LogP10.36
Rot. Bonds4

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

ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane (PubChem CID 158653894) has the molecular formula C38H90N4O and a molecular weight of 619.17 g/mol. Its IUPAC name is ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane.

Molecular Properties

Compound Nameethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane
PubChem CID158653894
Molecular FormulaC38H90N4O
Molecular Weight619.17 g/mol
Exact Mass618.71
IUPAC Nameethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane
SMILESC.C.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.4C2H6.2CH4/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;4*1-2;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;4*1-2H3;2*1H4
InChIKeyIBWSGSBTCQJMIF-UHFFFAOYSA-N
XLogP10.36
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.17
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,6-dihydro-2H-pyridine;4-methylmorpholine;1-methylpiperidine
CID 143268151
ethane;1-ethylazepane;1-ethylazetidine;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;methane
CID 157147279

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane?
The IUPAC name of ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane (CID 158653894) is ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane.
What is the SMILES notation for ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane?
The canonical SMILES for ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane is C.C.CC.CC.CC.CC.CCN1CC=CCC1.CCN1CCCCC1.CCN1CCCCCC1.CCN1CCOCC1.
What is the InChIKey of ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane?
The InChIKey is IBWSGSBTCQJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C7H13N.C6H13NO.4C2H6.2CH4/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;4*1-2;;/h2-8H2,1H3;2-7H2,1H3;3-4H,2,5-7H2,1H3;2-6H2,1H3;4*1-2H3;2*1H4.
What are the key properties of ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane?
ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane has a molecular weight of 619.17 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylazepane;1-ethyl-3,6-dihydro-2H-pyridine;4-ethylmorpholine;1-ethylpiperidine;methane is sourced from PubChem (CID 158653894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).