ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine

C22H44N2O — CID 143581199

IUPACethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
SMILESC=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1.CC.CC.CC
InChIInChI=1S/C16H26N2O.3C2H6/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16;3*1-2/h5-9,14,17H,3,10-13H2,1-2,4H3;3*1-2H3/b6-5+,9-7+,16-8+;;;
InChIKeyMAGFMOQEUCAIRU-HZYOKFKXSA-N
MW352.61 g/mol
LogP5.93
Rot. Bonds6

About ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine

ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine (PubChem CID 143581199) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine.

Molecular Properties

Compound Nameethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
PubChem CID143581199
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Nameethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
SMILESC=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1.CC.CC.CC
InChIInChI=1S/C16H26N2O.3C2H6/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16;3*1-2/h5-9,14,17H,3,10-13H2,1-2,4H3;3*1-2H3/b6-5+,9-7+,16-8+;;;
InChIKeyMAGFMOQEUCAIRU-HZYOKFKXSA-N
XLogP5.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The IUPAC name of ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine (CID 143581199) is ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine.
What is the SMILES notation for ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The canonical SMILES for ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine is C=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1.CC.CC.CC.
What is the InChIKey of ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The InChIKey is MAGFMOQEUCAIRU-HZYOKFKXSA-N. The full InChI is InChI=1S/C16H26N2O.3C2H6/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16;3*1-2/h5-9,14,17H,3,10-13H2,1-2,4H3;3*1-2H3/b6-5+,9-7+,16-8+;;;.
What are the key properties of ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine has a molecular weight of 352.61 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine is sourced from PubChem (CID 143581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).