ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)

C30H69N3O2 — CID 159317096

IUPACethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
SMILESC.C.CC.CC.CC.CC(=O)N1CCCCC1C.CC(=O)N1CCCCC1C.CC1CCCCN1
InChIInChI=1S/2C8H15NO.C6H13N.3C2H6.2CH4/c2*1-7-5-3-4-6-9(7)8(2)10;1-6-4-2-3-5-7-6;3*1-2;;/h2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;3*1-2H3;2*1H4
InChIKeyLDGVJANVSPFNKB-UHFFFAOYSA-N
MW503.90 g/mol
LogP8.31
Rot. Bonds

About ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)

ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone) (PubChem CID 159317096) has the molecular formula C30H69N3O2 and a molecular weight of 503.90 g/mol. Its IUPAC name is ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone).

Molecular Properties

Compound Nameethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
PubChem CID159317096
Molecular FormulaC30H69N3O2
Molecular Weight503.90 g/mol
Exact Mass503.54
IUPAC Nameethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
SMILESC.C.CC.CC.CC.CC(=O)N1CCCCC1C.CC(=O)N1CCCCC1C.CC1CCCCN1
InChIInChI=1S/2C8H15NO.C6H13N.3C2H6.2CH4/c2*1-7-5-3-4-6-9(7)8(2)10;1-6-4-2-3-5-7-6;3*1-2;;/h2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;3*1-2H3;2*1H4
InChIKeyLDGVJANVSPFNKB-UHFFFAOYSA-N
XLogP8.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)?
The IUPAC name of ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone) (CID 159317096) is ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone).
What is the SMILES notation for ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)?
The canonical SMILES for ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone) is C.C.CC.CC.CC.CC(=O)N1CCCCC1C.CC(=O)N1CCCCC1C.CC1CCCCN1.
What is the InChIKey of ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)?
The InChIKey is LDGVJANVSPFNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO.C6H13N.3C2H6.2CH4/c2*1-7-5-3-4-6-9(7)8(2)10;1-6-4-2-3-5-7-6;3*1-2;;/h2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;3*1-2H3;2*1H4.
What are the key properties of ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)?
ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone) has a molecular weight of 503.90 g/mol, XLogP of 8.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone) is sourced from PubChem (CID 159317096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).