ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine

C19H25F3N2O — CID 143696197

IUPACethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine
SMILESC=C/C=C\C(=C/C=C\C)NCc1ccc(OCC(F)(F)F)nc1.CC
InChIInChI=1S/C17H19F3N2O.C2H6/c1-3-5-7-15(8-6-4-2)21-11-14-9-10-16(22-12-14)23-13-17(18,19)20;1-2/h3-10,12,21H,1,11,13H2,2H3;1-2H3/b6-4-,7-5-,15-8+;
InChIKeyZHJVPRWWMBXSTD-UCDXSBDDSA-N
MW354.42 g/mol
LogP5.34
Rot. Bonds8

About ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine

ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine (PubChem CID 143696197) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine.

Molecular Properties

Compound Nameethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine
PubChem CID143696197
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Nameethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine
SMILESC=C/C=C\C(=C/C=C\C)NCc1ccc(OCC(F)(F)F)nc1.CC
InChIInChI=1S/C17H19F3N2O.C2H6/c1-3-5-7-15(8-6-4-2)21-11-14-9-10-16(22-12-14)23-13-17(18,19)20;1-2/h3-10,12,21H,1,11,13H2,2H3;1-2H3/b6-4-,7-5-,15-8+;
InChIKeyZHJVPRWWMBXSTD-UCDXSBDDSA-N
XLogP5.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine?
The IUPAC name of ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine (CID 143696197) is ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine.
What is the SMILES notation for ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine?
The canonical SMILES for ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine is C=C/C=C\C(=C/C=C\C)NCc1ccc(OCC(F)(F)F)nc1.CC.
What is the InChIKey of ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine?
The InChIKey is ZHJVPRWWMBXSTD-UCDXSBDDSA-N. The full InChI is InChI=1S/C17H19F3N2O.C2H6/c1-3-5-7-15(8-6-4-2)21-11-14-9-10-16(22-12-14)23-13-17(18,19)20;1-2/h3-10,12,21H,1,11,13H2,2H3;1-2H3/b6-4-,7-5-,15-8+;.
What are the key properties of ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine?
ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine has a molecular weight of 354.42 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E,7Z)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]nona-1,3,5,7-tetraen-5-amine is sourced from PubChem (CID 143696197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).