ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane

C26H45N — CID 144687223

IUPACethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
SMILESC=C.C=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccccc1.CC.CC.CCC
InChIInChI=1S/C17H21N.C3H8.2C2H6.C2H4/c1-5-7-12-16(4)18(15(3)11-6-2)17-13-9-8-10-14-17;1-3-2;3*1-2/h5-14H,2H2,1,3-4H3;3H2,1-2H3;2*1-2H3;1-2H2/b7-5-,15-11+,16-12+;;;;
InChIKeyPZNFKSDMDUAIJN-MZROALRCSA-N
MW371.65 g/mol
LogP9.33
Rot. Bonds5

About ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane

ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane (PubChem CID 144687223) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane.

Molecular Properties

Compound Nameethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
PubChem CID144687223
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC Nameethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
SMILESC=C.C=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccccc1.CC.CC.CCC
InChIInChI=1S/C17H21N.C3H8.2C2H6.C2H4/c1-5-7-12-16(4)18(15(3)11-6-2)17-13-9-8-10-14-17;1-3-2;3*1-2/h5-14H,2H2,1,3-4H3;3H2,1-2H3;2*1-2H3;1-2H2/b7-5-,15-11+,16-12+;;;;
InChIKeyPZNFKSDMDUAIJN-MZROALRCSA-N
XLogP9.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane?
The IUPAC name of ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane (CID 144687223) is ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane.
What is the SMILES notation for ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane?
The canonical SMILES for ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane is C=C.C=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccccc1.CC.CC.CCC.
What is the InChIKey of ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane?
The InChIKey is PZNFKSDMDUAIJN-MZROALRCSA-N. The full InChI is InChI=1S/C17H21N.C3H8.2C2H6.C2H4/c1-5-7-12-16(4)18(15(3)11-6-2)17-13-9-8-10-14-17;1-3-2;3*1-2/h5-14H,2H2,1,3-4H3;3H2,1-2H3;2*1-2H3;1-2H2/b7-5-,15-11+,16-12+;;;;.
What are the key properties of ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane?
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane has a molecular weight of 371.65 g/mol, XLogP of 9.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane is sourced from PubChem (CID 144687223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).