(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

C23H37N — CID 121373945

IUPAC(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(=C/C=C/C(C)=C/CN)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C23H37N/c1-18(15-17-24)10-8-12-20(22(3,4)5)13-14-21-19(2)11-9-16-23(21,6)7/h8,10,12-15H,9,11,16-17,24H2,1-7H3/b10-8+,14-13+,18-15+,20-12-
InChIKeyXTZZGHYFTHNMPO-CHBWLPFHSA-N
MW327.56 g/mol
LogP6.50
Rot. Bonds5

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

(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (PubChem CID 121373945) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
PubChem CID121373945
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(=C/C=C/C(C)=C/CN)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C23H37N/c1-18(15-17-24)10-8-12-20(22(3,4)5)13-14-21-19(2)11-9-16-23(21,6)7/h8,10,12-15H,9,11,16-17,24H2,1-7H3/b10-8+,14-13+,18-15+,20-12-
InChIKeyXTZZGHYFTHNMPO-CHBWLPFHSA-N
XLogP6.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.50
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-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (CID 121373945) is (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine is CC1=C(/C=C/C(=C/C=C/C(C)=C/CN)C(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The InChIKey is XTZZGHYFTHNMPO-CHBWLPFHSA-N. The full InChI is InChI=1S/C23H37N/c1-18(15-17-24)10-8-12-20(22(3,4)5)13-14-21-19(2)11-9-16-23(21,6)7/h8,10,12-15H,9,11,16-17,24H2,1-7H3/b10-8+,14-13+,18-15+,20-12-.
What are the key properties of (2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine has a molecular weight of 327.56 g/mol, XLogP of 6.50, 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-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).