(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine

C20H31N — CID 121373966

IUPAC(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine
SMILESCC(/C=C/C=C(/C=C/C1=CCCCC1)C(C)(C)C)=C\CN
InChIInChI=1S/C20H31N/c1-17(15-16-21)9-8-12-19(20(2,3)4)14-13-18-10-6-5-7-11-18/h8-10,12-15H,5-7,11,16,21H2,1-4H3/b9-8+,14-13+,17-15+,19-12-
InChIKeyUVFKKLFIZNNYKX-UEEQSSBOSA-N
MW285.48 g/mol
LogP5.48
Rot. Bonds5

About (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine

(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine (PubChem CID 121373966) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine
PubChem CID121373966
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine
SMILESCC(/C=C/C=C(/C=C/C1=CCCCC1)C(C)(C)C)=C\CN
InChIInChI=1S/C20H31N/c1-17(15-16-21)9-8-12-19(20(2,3)4)14-13-18-10-6-5-7-11-18/h8-10,12-15H,5-7,11,16,21H2,1-4H3/b9-8+,14-13+,17-15+,19-12-
InChIKeyUVFKKLFIZNNYKX-UEEQSSBOSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine (CID 121373966) is (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine is CC(/C=C/C=C(/C=C/C1=CCCCC1)C(C)(C)C)=C\CN.
What is the InChIKey of (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is UVFKKLFIZNNYKX-UEEQSSBOSA-N. The full InChI is InChI=1S/C20H31N/c1-17(15-16-21)9-8-12-19(20(2,3)4)14-13-18-10-6-5-7-11-18/h8-10,12-15H,5-7,11,16,21H2,1-4H3/b9-8+,14-13+,17-15+,19-12-.
What are the key properties of (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine?
(2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-7-tert-butyl-9-(cyclohexen-1-yl)-3-methylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).