(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine

C31H51N — CID 144566282

IUPAC(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine
SMILESC/C=C\C(=C/C=C/C=C/C(C)/C(=C/C(/C=C\C(C)C(C)C)=C/C)CN(C)CC)C(C)(C)C
InChIInChI=1S/C31H51N/c1-12-18-30(31(8,9)10)20-17-15-16-19-27(7)29(24-32(11)14-3)23-28(13-2)22-21-26(6)25(4)5/h12-13,15-23,25-27H,14,24H2,1-11H3/b17-15+,18-12-,19-16+,22-21-,28-13+,29-23+,30-20+
InChIKeyJWSYKLVIHFODQJ-HWGGBOPJSA-N
MW437.76 g/mol
LogP8.96
Rot. Bonds12

About (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine

(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine (PubChem CID 144566282) has the molecular formula C31H51N and a molecular weight of 437.76 g/mol. Its IUPAC name is (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine.

Molecular Properties

Compound Name(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine
PubChem CID144566282
Molecular FormulaC31H51N
Molecular Weight437.76 g/mol
Exact Mass437.40
IUPAC Name(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine
SMILESC/C=C\C(=C/C=C/C=C/C(C)/C(=C/C(/C=C\C(C)C(C)C)=C/C)CN(C)CC)C(C)(C)C
InChIInChI=1S/C31H51N/c1-12-18-30(31(8,9)10)20-17-15-16-19-27(7)29(24-32(11)14-3)23-28(13-2)22-21-26(6)25(4)5/h12-13,15-23,25-27H,14,24H2,1-11H3/b17-15+,18-12-,19-16+,22-21-,28-13+,29-23+,30-20+
InChIKeyJWSYKLVIHFODQJ-HWGGBOPJSA-N
XLogP8.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.76
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine?
The IUPAC name of (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine (CID 144566282) is (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine.
What is the SMILES notation for (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine?
The canonical SMILES for (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine is C/C=C\C(=C/C=C/C=C/C(C)/C(=C/C(/C=C\C(C)C(C)C)=C/C)CN(C)CC)C(C)(C)C.
What is the InChIKey of (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine?
The InChIKey is JWSYKLVIHFODQJ-HWGGBOPJSA-N. The full InChI is InChI=1S/C31H51N/c1-12-18-30(31(8,9)10)20-17-15-16-19-27(7)29(24-32(11)14-3)23-28(13-2)22-21-26(6)25(4)5/h12-13,15-23,25-27H,14,24H2,1-11H3/b17-15+,18-12-,19-16+,22-21-,28-13+,29-23+,30-20+.
What are the key properties of (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine?
(2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine has a molecular weight of 437.76 g/mol, XLogP of 8.96, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E,10Z)-9-tert-butyl-N-ethyl-2-[(Z,2E)-2-ethylidene-5,6-dimethylhept-3-enylidene]-N,3-dimethyldodeca-4,6,8,10-tetraen-1-amine is sourced from PubChem (CID 144566282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).