5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine

C18H20N2 — CID 169152608

IUPAC5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESC=CN1C=C(c2ccc3c(c2N)CCC3)C=C/C1=C/C
InChIInChI=1S/C18H20N2/c1-3-15-10-8-14(12-20(15)4-2)17-11-9-13-6-5-7-16(13)18(17)19/h3-4,8-12H,2,5-7,19H2,1H3/b15-3-
InChIKeyFWVCCTJHPAAYAK-CQPUUCJISA-N
MW264.37 g/mol
LogP4.02
Rot. Bonds2

About 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine

5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 169152608) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID169152608
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESC=CN1C=C(c2ccc3c(c2N)CCC3)C=C/C1=C/C
InChIInChI=1S/C18H20N2/c1-3-15-10-8-14(12-20(15)4-2)17-11-9-13-6-5-7-16(13)18(17)19/h3-4,8-12H,2,5-7,19H2,1H3/b15-3-
InChIKeyFWVCCTJHPAAYAK-CQPUUCJISA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine (CID 169152608) is 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine is C=CN1C=C(c2ccc3c(c2N)CCC3)C=C/C1=C/C.
What is the InChIKey of 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is FWVCCTJHPAAYAK-CQPUUCJISA-N. The full InChI is InChI=1S/C18H20N2/c1-3-15-10-8-14(12-20(15)4-2)17-11-9-13-6-5-7-16(13)18(17)19/h3-4,8-12H,2,5-7,19H2,1H3/b15-3-.
What are the key properties of 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 264.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6Z)-1-ethenyl-6-ethylidene-3-pyridinyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 169152608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).