4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline

C25H35N — CID 144650423

IUPAC4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C(=C\C)N(C1=CC=C(C(C)(C)C)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H35N/c1-9-21(10-2)26(22-15-11-19(12-16-22)24(3,4)5)23-17-13-20(14-18-23)25(6,7)8/h9-13,15-17H,1,14,18H2,2-8H3/b21-10+
InChIKeyUNNZJCSJCLJHTE-UFFVCSGVSA-N
MW349.56 g/mol
LogP7.53
Rot. Bonds4

About 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline

4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline (PubChem CID 144650423) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline
PubChem CID144650423
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C(=C\C)N(C1=CC=C(C(C)(C)C)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H35N/c1-9-21(10-2)26(22-15-11-19(12-16-22)24(3,4)5)23-17-13-20(14-18-23)25(6,7)8/h9-13,15-17H,1,14,18H2,2-8H3/b21-10+
InChIKeyUNNZJCSJCLJHTE-UFFVCSGVSA-N
XLogP7.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.53
H-Bond Donors ≤ 50
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 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline (CID 144650423) is 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline is C=C/C(=C\C)N(C1=CC=C(C(C)(C)C)CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The InChIKey is UNNZJCSJCLJHTE-UFFVCSGVSA-N. The full InChI is InChI=1S/C25H35N/c1-9-21(10-2)26(22-15-11-19(12-16-22)24(3,4)5)23-17-13-20(14-18-23)25(6,7)8/h9-13,15-17H,1,14,18H2,2-8H3/b21-10+.
What are the key properties of 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline?
4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline has a molecular weight of 349.56 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-[(3E)-penta-1,3-dien-3-yl]aniline is sourced from PubChem (CID 144650423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).