ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten

C13H29N2OW- — CID 157048732

IUPACethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten
SMILESCC.CCN1CCC(COCCC[NH-])CC1.[W]
InChIInChI=1S/C11H23N2O.C2H6.W/c1-2-13-7-4-11(5-8-13)10-14-9-3-6-12;1-2;/h11-12H,2-10H2,1H3;1-2H3;/q-1;;
InChIKeyIISGGPQRKYELJF-UHFFFAOYSA-N
MW413.23 g/mol
LogP3.20
Rot. Bonds6

About ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten

ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten (PubChem CID 157048732) has the molecular formula C13H29N2OW- and a molecular weight of 413.23 g/mol. Its IUPAC name is ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten.

Molecular Properties

Compound Nameethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten
PubChem CID157048732
Molecular FormulaC13H29N2OW-
Molecular Weight413.23 g/mol
Exact Mass413.18
IUPAC Nameethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten
SMILESCC.CCN1CCC(COCCC[NH-])CC1.[W]
InChIInChI=1S/C11H23N2O.C2H6.W/c1-2-13-7-4-11(5-8-13)10-14-9-3-6-12;1-2;/h11-12H,2-10H2,1H3;1-2H3;/q-1;;
InChIKeyIISGGPQRKYELJF-UHFFFAOYSA-N
XLogP3.20
TPSA36.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
N-[2-(cyclopropylmethoxy)ethyl]-1-ethylpiperidin-4-amine
CID 115718337
1,4-diethylpiperidine;ethane
CID 143709904
[4-(propoxymethyl)piperidin-1-yl]methanamine
CID 155739261
3-(butoxymethyl)-1-ethylazetidine
CID 155411506
5-[5-(1-ethylpiperidin-4-yl)pentoxy]pentan-1-ol
CID 142365203
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 111392187
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
CID 155189204

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten?
The IUPAC name of ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten (CID 157048732) is ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten.
What is the SMILES notation for ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten?
The canonical SMILES for ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten is CC.CCN1CCC(COCCC[NH-])CC1.[W].
What is the InChIKey of ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten?
The InChIKey is IISGGPQRKYELJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O.C2H6.W/c1-2-13-7-4-11(5-8-13)10-14-9-3-6-12;1-2;/h11-12H,2-10H2,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten?
ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten has a molecular weight of 413.23 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten is sourced from PubChem (CID 157048732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).