4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline

C33H49N — CID 142308507

IUPAC4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C(=C)C(C)(C)C)N(C(=C)/C=C\C(=C)C(C)(C)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C33H49N/c1-24(30(5,6)7)16-18-26(3)34(29-22-20-28(21-23-29)31(8,9)10)27(4)19-17-25(2)33(14,15)32(11,12)13/h16-23H,1-4H2,5-15H3/b18-16-,19-17-
InChIKeyKIRWTXVFLQBOFN-YGGBKCGDSA-N
MW459.76 g/mol
LogP10.16
Rot. Bonds8

About 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline

4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline (PubChem CID 142308507) has the molecular formula C33H49N and a molecular weight of 459.76 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline
PubChem CID142308507
Molecular FormulaC33H49N
Molecular Weight459.76 g/mol
Exact Mass459.39
IUPAC Name4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C(=C)C(C)(C)C)N(C(=C)/C=C\C(=C)C(C)(C)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C33H49N/c1-24(30(5,6)7)16-18-26(3)34(29-22-20-28(21-23-29)31(8,9)10)27(4)19-17-25(2)33(14,15)32(11,12)13/h16-23H,1-4H2,5-15H3/b18-16-,19-17-
InChIKeyKIRWTXVFLQBOFN-YGGBKCGDSA-N
XLogP10.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 510.16
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-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline?
The IUPAC name of 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline (CID 142308507) is 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline is C=C(/C=C\C(=C)C(C)(C)C)N(C(=C)/C=C\C(=C)C(C)(C)C(C)(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline?
The InChIKey is KIRWTXVFLQBOFN-YGGBKCGDSA-N. The full InChI is InChI=1S/C33H49N/c1-24(30(5,6)7)16-18-26(3)34(29-22-20-28(21-23-29)31(8,9)10)27(4)19-17-25(2)33(14,15)32(11,12)13/h16-23H,1-4H2,5-15H3/b18-16-,19-17-.
What are the key properties of 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline?
4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline has a molecular weight of 459.76 g/mol, XLogP of 10.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N-[(3Z)-6,6,7,7-tetramethyl-5-methylideneocta-1,3-dien-2-yl]aniline is sourced from PubChem (CID 142308507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).