3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene

C27H41N — CID 144696591

IUPAC3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene
SMILESC=C.C=CC1=C(/C=C\C)c2ccccc2C1(C/C=C\C)C(C)C(C)NC.CC
InChIInChI=1S/C23H31N.C2H6.C2H4/c1-7-10-16-23(17(4)18(5)24-6)21(9-3)19(13-8-2)20-14-11-12-15-22(20)23;2*1-2/h7-15,17-18,24H,3,16H2,1-2,4-6H3;1-2H3;1-2H2/b10-7-,13-8-;;
InChIKeyQUEDRUQMLIRMLR-PJZMCVJASA-N
MW379.63 g/mol
LogP7.49
Rot. Bonds7

About 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene

3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene (PubChem CID 144696591) has the molecular formula C27H41N and a molecular weight of 379.63 g/mol. Its IUPAC name is 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene.

Molecular Properties

Compound Name3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene
PubChem CID144696591
Molecular FormulaC27H41N
Molecular Weight379.63 g/mol
Exact Mass379.32
IUPAC Name3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene
SMILESC=C.C=CC1=C(/C=C\C)c2ccccc2C1(C/C=C\C)C(C)C(C)NC.CC
InChIInChI=1S/C23H31N.C2H6.C2H4/c1-7-10-16-23(17(4)18(5)24-6)21(9-3)19(13-8-2)20-14-11-12-15-22(20)23;2*1-2/h7-15,17-18,24H,3,16H2,1-2,4-6H3;1-2H3;1-2H2/b10-7-,13-8-;;
InChIKeyQUEDRUQMLIRMLR-PJZMCVJASA-N
XLogP7.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene?
The IUPAC name of 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene (CID 144696591) is 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene.
What is the SMILES notation for 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene?
The canonical SMILES for 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene is C=C.C=CC1=C(/C=C\C)c2ccccc2C1(C/C=C\C)C(C)C(C)NC.CC.
What is the InChIKey of 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene?
The InChIKey is QUEDRUQMLIRMLR-PJZMCVJASA-N. The full InChI is InChI=1S/C23H31N.C2H6.C2H4/c1-7-10-16-23(17(4)18(5)24-6)21(9-3)19(13-8-2)20-14-11-12-15-22(20)23;2*1-2/h7-15,17-18,24H,3,16H2,1-2,4-6H3;1-2H3;1-2H2/b10-7-,13-8-;;.
What are the key properties of 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene?
3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene has a molecular weight of 379.63 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene is sourced from PubChem (CID 144696591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).