ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine

C15H35NO3 — CID 143148551

IUPACethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
SMILESC=C(C)COCCOCCOCCNC.CC.CC
InChIInChI=1S/C11H23NO3.2C2H6/c1-11(2)10-15-9-8-14-7-6-13-5-4-12-3;2*1-2/h12H,1,4-10H2,2-3H3;2*1-2H3
InChIKeyFNFCOXRBTRMNAB-UHFFFAOYSA-N
MW277.45 g/mol
LogP2.88
Rot. Bonds11

About ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine

ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine (PubChem CID 143148551) has the molecular formula C15H35NO3 and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
PubChem CID143148551
Molecular FormulaC15H35NO3
Molecular Weight277.45 g/mol
Exact Mass277.26
IUPAC Nameethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
SMILESC=C(C)COCCOCCOCCNC.CC.CC
InChIInChI=1S/C11H23NO3.2C2H6/c1-11(2)10-15-9-8-14-7-6-13-5-4-12-3;2*1-2/h12H,1,4-10H2,2-3H3;2*1-2H3
InChIKeyFNFCOXRBTRMNAB-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-[2-(2-Methylprop-2-enoxy)ethoxy]ethanamine
CID 82352817
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 118403164
2-[2-[2-[2-(2-Methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 154977606
Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 155624962
N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 163715916
2-[3-[2-(Methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine
CID 163910269

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine (CID 143148551) is ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine is C=C(C)COCCOCCOCCNC.CC.CC.
What is the InChIKey of ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is FNFCOXRBTRMNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.2C2H6/c1-11(2)10-15-9-8-14-7-6-13-5-4-12-3;2*1-2/h12H,1,4-10H2,2-3H3;2*1-2H3.
What are the key properties of ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine?
ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 277.45 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 143148551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).