N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine

C23H26N2 — CID 135199007

IUPACN-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine
SMILESC=C/C=C1/C=CCC/C1=C(/C)C1=CC2C=CC=NC2C(/N=C/C)=C1C
InChIInChI=1S/C23H26N2/c1-5-10-18-11-7-8-13-20(18)16(3)21-15-19-12-9-14-25-23(19)22(17(21)4)24-6-2/h5-7,9-12,14-15,19,23H,1,8,13H2,2-4H3/b18-10-,20-16+,24-6+
InChIKeyBVEPCCNNXOVVSE-BHEZLNCRSA-N
MW330.48 g/mol
LogP5.70
Rot. Bonds3

About N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine

N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine (PubChem CID 135199007) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine.

Molecular Properties

Compound NameN-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine
PubChem CID135199007
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine
SMILESC=C/C=C1/C=CCC/C1=C(/C)C1=CC2C=CC=NC2C(/N=C/C)=C1C
InChIInChI=1S/C23H26N2/c1-5-10-18-11-7-8-13-20(18)16(3)21-15-19-12-9-14-25-23(19)22(17(21)4)24-6-2/h5-7,9-12,14-15,19,23H,1,8,13H2,2-4H3/b18-10-,20-16+,24-6+
InChIKeyBVEPCCNNXOVVSE-BHEZLNCRSA-N
XLogP5.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine?
The IUPAC name of N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine (CID 135199007) is N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine.
What is the SMILES notation for N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine?
The canonical SMILES for N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine is C=C/C=C1/C=CCC/C1=C(/C)C1=CC2C=CC=NC2C(/N=C/C)=C1C.
What is the InChIKey of N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine?
The InChIKey is BVEPCCNNXOVVSE-BHEZLNCRSA-N. The full InChI is InChI=1S/C23H26N2/c1-5-10-18-11-7-8-13-20(18)16(3)21-15-19-12-9-14-25-23(19)22(17(21)4)24-6-2/h5-7,9-12,14-15,19,23H,1,8,13H2,2-4H3/b18-10-,20-16+,24-6+.
What are the key properties of N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine?
N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine has a molecular weight of 330.48 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine is sourced from PubChem (CID 135199007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).