4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine

C19H29N — CID 144821182

IUPAC4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)(C)C1=CC=C(NC(C)(C)C2=CC=CCC2)CC1
InChIInChI=1S/C19H29N/c1-18(2,3)15-11-13-17(14-12-15)20-19(4,5)16-9-7-6-8-10-16/h6-7,9,11,13,20H,8,10,12,14H2,1-5H3
InChIKeyUAQMEHWJQFUFRF-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.28
Rot. Bonds3

About 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine

4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 144821182) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine
PubChem CID144821182
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)(C)C1=CC=C(NC(C)(C)C2=CC=CCC2)CC1
InChIInChI=1S/C19H29N/c1-18(2,3)15-11-13-17(14-12-15)20-19(4,5)16-9-7-6-8-10-16/h6-7,9,11,13,20H,8,10,12,14H2,1-5H3
InChIKeyUAQMEHWJQFUFRF-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine (CID 144821182) is 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine is CC(C)(C)C1=CC=C(NC(C)(C)C2=CC=CCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is UAQMEHWJQFUFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-18(2,3)15-11-13-17(14-12-15)20-19(4,5)16-9-7-6-8-10-16/h6-7,9,11,13,20H,8,10,12,14H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine?
4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclohexa-1,3-dien-1-ylpropan-2-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144821182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).