ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene

C15H35N3O2 — CID 143311631

IUPACethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
SMILESC=CC.C=NC.CC.OCCOCCN1CCNCC1
InChIInChI=1S/C8H18N2O2.C3H6.C2H5N.C2H6/c11-6-8-12-7-5-10-3-1-9-2-4-10;2*1-3-2;1-2/h9,11H,1-8H2;3H,1H2,2H3;1H2,2H3;1-2H3
InChIKeyNDBHASYBOSVJLG-UHFFFAOYSA-N
MW289.46 g/mol
LogP1.44
Rot. Bonds5

About ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene

ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene (PubChem CID 143311631) has the molecular formula C15H35N3O2 and a molecular weight of 289.46 g/mol. Its IUPAC name is ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene.

Molecular Properties

Compound Nameethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
PubChem CID143311631
Molecular FormulaC15H35N3O2
Molecular Weight289.46 g/mol
Exact Mass289.27
IUPAC Nameethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
SMILESC=CC.C=NC.CC.OCCOCCN1CCNCC1
InChIInChI=1S/C8H18N2O2.C3H6.C2H5N.C2H6/c11-6-8-12-7-5-10-3-1-9-2-4-10;2*1-3-2;1-2/h9,11H,1-8H2;3H,1H2,2H3;1H2,2H3;1-2H3
InChIKeyNDBHASYBOSVJLG-UHFFFAOYSA-N
XLogP1.44
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[3-(2-piperazin-1-ylethylamino)propoxy]ethanol
CID 57147651
1-[2-(2-nitrosoethoxy)ethyl]piperazine
CID 89331128
1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
ethene;2-piperazin-1-ylethanol
CID 175244492
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene?
The IUPAC name of ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene (CID 143311631) is ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene.
What is the SMILES notation for ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene?
The canonical SMILES for ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene is C=CC.C=NC.CC.OCCOCCN1CCNCC1.
What is the InChIKey of ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene?
The InChIKey is NDBHASYBOSVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C3H6.C2H5N.C2H6/c11-6-8-12-7-5-10-3-1-9-2-4-10;2*1-3-2;1-2/h9,11H,1-8H2;3H,1H2,2H3;1H2,2H3;1-2H3.
What are the key properties of ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene?
ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene has a molecular weight of 289.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene is sourced from PubChem (CID 143311631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).