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

C26H43N — CID 121373971

IUPAC(2Z,4E,6Z,8E)-3,7-ditert-butyl-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/CN)C(C)(C)C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H43N/c1-20-12-11-18-26(8,9)23(20)16-15-21(24(2,3)4)13-10-14-22(17-19-27)25(5,6)7/h10,13-17H,11-12,18-19,27H2,1-9H3/b14-10+,16-15+,21-13-,22-17-
InChIKeyWWFMBBPWAFXMFU-PQOCCUSGSA-N
MW369.64 g/mol
LogP7.53
Rot. Bonds5

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

(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (PubChem CID 121373971) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
PubChem CID121373971
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Name(2Z,4E,6Z,8E)-3,7-ditert-butyl-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/CN)C(C)(C)C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H43N/c1-20-12-11-18-26(8,9)23(20)16-15-21(24(2,3)4)13-10-14-22(17-19-27)25(5,6)7/h10,13-17H,11-12,18-19,27H2,1-9H3/b14-10+,16-15+,21-13-,22-17-
InChIKeyWWFMBBPWAFXMFU-PQOCCUSGSA-N
XLogP7.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 57.53
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 (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine (CID 121373971) is (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2Z,4E,6Z,8E)-3,7-ditert-butyl-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/CN)C(C)(C)C)C(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
The InChIKey is WWFMBBPWAFXMFU-PQOCCUSGSA-N. The full InChI is InChI=1S/C26H43N/c1-20-12-11-18-26(8,9)23(20)16-15-21(24(2,3)4)13-10-14-22(17-19-27)25(5,6)7/h10,13-17H,11-12,18-19,27H2,1-9H3/b14-10+,16-15+,21-13-,22-17-.
What are the key properties of (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine?
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine has a molecular weight of 369.64 g/mol, XLogP of 7.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).